COVID Moonshot Sprint 12 for prioritizing synthesis of spiro compounds based on P2385_0A using reference compound MAT-POS-c7726e07-5 with Mpro dimer and His41(+)-Cys145(-)-His163(0)
| Rank | Compound | SMILES | ΔG / kcal mol-1 | pIC50 | |
|---|---|---|---|---|---|
| 1 | EDJ-MED-33064c06-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N | −14.8 ± 0.3 | 10.7 ± 0.2 |
| 2 | ALP-POS-c3a90b22-7 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N | −14.7 ± 0.3 | 10.7 ± 0.2 |
| 3 | ALP-POS-c3a90b22-12 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 | −14.5 ± 0.2 | 10.6 ± 0.2 |
| 4 | EDJ-MED-33064c06-8 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O | −14.4 ± 0.3 | 10.5 ± 0.2 |
| 5 | EDJ-MED-33064c06-14 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O | −14.1 ± 0.4 | 10.3 ± 0.3 |
| 6 | ALP-POS-c3a90b22-6 |
|
CNC(=O)CCN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −14.0 ± 0.4 | 10.2 ± 0.3 |
| 7 | ALP-POS-4483ae88-2 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl | −14.0 ± 0.5 | 10.2 ± 0.4 |
| 8 | EDJ-MED-4cb9dd84-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −13.8 ± 0.3 | 10.1 ± 0.2 |
| 9 | MAT-POS-c7726e07-6 |
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −13.8 ± 0.2 | 10.1 ± 0.1 |
| 10 | MAT-POS-69786b79-3 |
|
CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −13.7 ± 0.2 | 10.0 ± 0.1 |
| 11 | LUO-POS-8484f2d3-2 |
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −13.5 ± 0.9 | 9.8 ± 0.7 |
| 12 | PET-UNK-37c7074c-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 13 | ALP-POS-c3a90b22-2 |
|
CNC(=O)C1(CCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 14 | EDJ-MED-33064c06-15 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N | −13.0 ± 0.2 | 9.5 ± 0.2 |
| 15 | ALP-POS-afe0272e-1 |
|
CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl | −13.0 ± 0.2 | 9.5 ± 0.1 |
| 16 | EDJ-MED-33064c06-17 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 17 | EDJ-MED-b6c6ee2b-1 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl | −12.6 ± 0.4 | 9.2 ± 0.3 |
| 18 | EDJ-MED-0d144977-2 |
|
Cn1cncc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −12.6 ± 0.5 | 9.2 ± 0.3 |
| 19 | MAT-POS-38eb6498-3 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl | −12.6 ± 0.4 | 9.1 ± 0.3 |
| 20 | MAT-POS-e48723dc-2 |
|
CNC(=O)C1(CC1)N2C[C@@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −12.5 ± 0.3 | 9.1 ± 0.2 |
| 21 | LUO-POS-e1dab717-18 |
|
CC1(CC2(CN(Cc3c2cc(cc3)Cl)CC(=O)NC)C(=O)N1c4cncc5c4cccc5)C | −12.5 ± 0.4 | 9.1 ± 0.3 |
| 22 | MAT-POS-b4d6b7fc-6 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl | −12.4 ± 0.4 | 9.0 ± 0.3 |
| 23 | MIK-ENA-7066949b-1 |
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −12.2 ± 0.9 | 8.9 ± 0.7 |
| 24 | PET-UNK-14142a25-1 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −12.2 ± 0.3 | 8.9 ± 0.2 |
| 25 | MAT-POS-38eb6498-6 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)C(=O)NC)c5cc(ccc5C1=O)Cl | −12.1 ± 0.5 | 8.8 ± 0.3 |
| 26 | DAR-DIA-0f7b7cd9-9 |
|
c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl | −12.1 ± 0.4 | 8.8 ± 0.3 |
| 27 | VLA-UNK-8e615992-5 |
|
CNC(=O)CN1C(C2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F | −11.9 ± 0.3 | 8.7 ± 0.2 |
| 28 | PET-UNK-aa57768f-2 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N | −11.9 ± 0.3 | 8.7 ± 0.2 |
| 29 | EDJ-MED-cc48ee33-5 |
|
Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −11.9 ± 0.5 | 8.6 ± 0.3 |
| 30 | PET-UNK-c6bcc80b-4 |
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −11.6 ± 0.9 | 8.4 ± 0.7 |
| 31 | MAT-POS-50a80394-2 |
|
CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −11.4 ± 0.9 | 8.3 ± 0.6 |
| 32 | EDJ-MED-0d144977-5 |
|
Cn1ccnc1CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −11.3 ± 0.3 | 8.2 ± 0.2 |
| 33 | LUO-POS-e1dab717-8 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)c6cc(ccc6C2=O)Cl | −11.3 ± 0.7 | 8.2 ± 0.5 |
| 34 | PET-UNK-c6bcc80b-6 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl | −11.3 ± 0.4 | 8.2 ± 0.3 |
| 35 | PET-UNK-c6bcc80b-12 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl | −11.2 ± 0.3 | 8.2 ± 0.3 |
| 36 | VLA-UNK-61877630-5 |
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl | −11.2 ± 0.3 | 8.2 ± 0.2 |
| 37 | EDJ-MED-5cd3920d-6 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F | −11.2 ± 0.8 | 8.1 ± 0.6 |
| 38 | MAT-POS-38eb6498-2 |
|
CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −11.1 ± 0.9 | 8.1 ± 0.6 |
| 39 | MAT-POS-ddfe83c6-6 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)Cl)Cl | −11.1 ± 0.3 | 8.0 ± 0.3 |
| 40 | JOH-MSK-1f2dff76-1 |
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl | −10.9 ± 0.5 | 8.0 ± 0.4 |
| 41 | PET-UNK-6af7266d-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 | −10.9 ± 0.2 | 7.9 ± 0.1 |
| 42 | ALP-POS-c3a90b22-3 |
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.8 ± 0.4 | 7.9 ± 0.3 |
| 43 | PET-UNK-aa57768f-9 |
|
C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −10.8 ± 0.3 | 7.9 ± 0.2 |
| 44 | MIK-ENA-99706bb8-1 |
|
C[C@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −10.7 ± 0.8 | 7.8 ± 0.6 |
| 45 | PET-UNK-94036022-3 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl | −10.7 ± 0.7 | 7.8 ± 0.5 |
| 46 | PET-UNK-c6bcc80b-13 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl | −10.6 ± 0.4 | 7.7 ± 0.3 |
| 47 | MAT-POS-be048f2c-8 |
|
CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −10.6 ± 0.5 | 7.7 ± 0.4 |
| 48 | PET-UNK-aa57768f-8 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N | −10.6 ± 0.3 | 7.7 ± 0.2 |
| 49 | LUO-POS-b4dec3be-1 |
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl | −10.6 ± 0.2 | 7.7 ± 0.2 |
| 50 | PET-UNK-c6bcc80b-5 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(c(c5)NS(=O)(=O)C)F)Cl | −10.6 ± 0.3 | 7.7 ± 0.2 |
| 51 | EDJ-MED-4138fde9-8 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6COC6 | −10.6 ± 0.8 | 7.7 ± 0.6 |
| 52 | VLA-UNK-8e615992-1 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl | −10.6 ± 0.5 | 7.7 ± 0.4 |
| 53 | MAT-POS-e48723dc-1 |
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.5 ± 0.3 | 7.7 ± 0.2 |
| 54 | EDJ-MED-98c0a822-4 |
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.5 ± 0.4 | 7.7 ± 0.3 |
| 55 | EDJ-MED-b6c6ee2b-7 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl | −10.5 ± 0.4 | 7.6 ± 0.3 |
| 56 | LUO-POS-e1dab717-6 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl | −10.5 ± 0.4 | 7.6 ± 0.3 |
| 57 | EDJ-MED-cc48ee33-7 |
|
Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.5 ± 0.3 | 7.6 ± 0.2 |
| 58 | ALP-POS-c3a90b22-9 |
|
CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.4 ± 0.4 | 7.6 ± 0.3 |
| 59 | PET-UNK-6af7266d-2 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 | −10.4 ± 0.4 | 7.6 ± 0.3 |
| 60 | PET-UNK-7e9559de-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 | −10.3 ± 0.4 | 7.5 ± 0.3 |
| 61 | PET-UNK-6af7266d-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 | −10.3 ± 0.2 | 7.5 ± 0.1 |
| 62 | MAT-POS-e75f6e44-19 |
|
CC1(CCC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 63 | ALP-POS-41e2080f-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −10.3 ± 0.5 | 7.5 ± 0.3 |
| 64 | EDJ-MED-7d88f880-2 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=N)(=O)C)c6cc(ccc6C2=O)Cl | −10.3 ± 0.3 | 7.5 ± 0.2 |
| 65 | EDJ-MED-0d144977-3 |
|
Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.2 ± 0.4 | 7.5 ± 0.3 |
| 66 | EDJ-MED-0d144977-4 |
|
Cn1c(ncn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −10.2 ± 0.4 | 7.5 ± 0.3 |
| 67 | EDJ-MED-6b23330e-4 |
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)O | −10.2 ± 0.3 | 7.5 ± 0.2 |
| 68 | PET-UNK-7e9559de-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 | −10.2 ± 0.5 | 7.5 ± 0.4 |
| 69 | MAT-POS-1bed62cf-3 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl | −10.2 ± 0.5 | 7.5 ± 0.4 |
| 70 | MAT-POS-e75f6e44-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)F | −10.2 ± 0.3 | 7.4 ± 0.2 |
| 71 | EDJ-MED-8bb691af-4 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −10.2 ± 0.3 | 7.4 ± 0.2 |
| 72 | PET-UNK-6af7266d-4 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 | −10.1 ± 0.3 | 7.4 ± 0.2 |
| 73 | EDJ-MED-4cb9dd84-3 |
|
c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −10.1 ± 0.3 | 7.4 ± 0.2 |
| 74 | LUO-POS-f7b1afe6-4 |
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C | −10.1 ± 0.3 | 7.4 ± 0.2 |
| 75 | EDJ-MED-dfa1d800-5 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl | −10.1 ± 0.5 | 7.4 ± 0.3 |
| 76 | PET-UNK-aa57768f-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 | −10.1 ± 0.2 | 7.3 ± 0.1 |
| 77 | PET-UNK-aa57768f-7 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 | −10.1 ± 0.2 | 7.3 ± 0.1 |
| 78 | MAT-POS-1d5ab790-2 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 79 | EDJ-MED-6b23330e-1 |
|
CC(C)CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −10.0 ± 0.4 | 7.3 ± 0.3 |
| 80 | MAT-POS-983b399a-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl | −10.0 ± 0.3 | 7.3 ± 0.3 |
| 81 | ALP-POS-ecbed2ba-12 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −10.0 ± 0.3 | 7.3 ± 0.2 |
| 82 | ALP-POS-c3a90b22-10 |
|
CNC(=O)C1(CCOCC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −10.0 ± 0.3 | 7.3 ± 0.2 |
| 83 | EDJ-MED-5cd3920d-5 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F | −10.0 ± 0.8 | 7.3 ± 0.6 |
| 84 | PET-UNK-77d5678a-5 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 | −10.0 ± 0.3 | 7.3 ± 0.2 |
| 85 | EDJ-MED-9f4ac58c-1 |
|
c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −10.0 ± 0.4 | 7.3 ± 0.3 |
| 86 | EDJ-MED-7e491f08-1 |
|
c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F | −10.0 ± 0.9 | 7.3 ± 0.6 |
| 87 | EDJ-MED-4138fde9-9 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CC(C6)O | −9.9 ± 0.8 | 7.2 ± 0.6 |
| 88 | MAT-POS-69786b79-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N | −9.9 ± 0.4 | 7.2 ± 0.3 |
| 89 | LUO-POS-e1dab717-12 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −9.9 ± 0.6 | 7.2 ± 0.5 |
| 90 | LUO-POS-868e8996-12 |
|
CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −9.9 ± 0.4 | 7.2 ± 0.3 |
| 91 | MAT-POS-e75f6e44-14 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6COC6 | −9.9 ± 0.4 | 7.2 ± 0.3 |
| 92 | MAT-POS-e75f6e44-16 |
|
CN1CC(C1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.9 ± 0.3 | 7.2 ± 0.2 |
| 93 | PET-UNK-77d5678a-6 |
|
COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −9.9 ± 0.2 | 7.2 ± 0.2 |
| 94 | MAT-POS-96396902-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 | −9.9 ± 0.3 | 7.2 ± 0.2 |
| 95 | MAT-POS-e75f6e44-11 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N | −9.8 ± 0.2 | 7.2 ± 0.2 |
| 96 | EDJ-MED-6b23330e-7 |
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)N | −9.8 ± 0.4 | 7.2 ± 0.3 |
| 97 | PET-UNK-77d5678a-2 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 | −9.8 ± 0.3 | 7.2 ± 0.2 |
| 98 | MAT-POS-853c0ffa-18 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl | −9.8 ± 0.7 | 7.1 ± 0.5 |
| 99 | MAT-POS-e75f6e44-13 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 | −9.8 ± 0.3 | 7.1 ± 0.2 |
| 100 | 12_-111-3e02a1cd-1 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 | −9.7 ± 0.3 | 7.1 ± 0.2 |
| 101 | PET-UNK-77d5678a-4 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 | −9.7 ± 0.3 | 7.1 ± 0.2 |
| 102 | MAT-POS-e75f6e44-9 |
|
C[C@H](C1CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 103 | EDJ-MED-6b23330e-6 |
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 104 | MAT-POS-50a80394-6 |
|
CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 | −9.6 ± 0.2 | 7.0 ± 0.2 |
| 105 | EDJ-MED-0d144977-1 |
|
Cc1[nH]cc(n1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −9.6 ± 0.3 | 7.0 ± 0.2 |
| 106 | MAT-POS-69786b79-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6CC6 | −9.6 ± 0.4 | 7.0 ± 0.3 |
| 107 | EDJ-MED-6b23330e-2 |
|
CC(C)(C)CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −9.6 ± 0.4 | 7.0 ± 0.3 |
| 108 | EDJ-MED-4cb9dd84-2 |
|
c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −9.6 ± 0.2 | 7.0 ± 0.2 |
| 109 | EDJ-MED-5cd3920d-4 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl | −9.6 ± 0.4 | 7.0 ± 0.3 |
| 110 | ALP-POS-ecbed2ba-14 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC#N | −9.6 ± 0.3 | 7.0 ± 0.2 |
| 111 | PET-UNK-94036022-2 |
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.5 ± 0.7 | 6.9 ± 0.5 |
| 112 | VLA-UNK-5d8210f0-1 |
|
CNC(=O)CN1Cc2c(cc(cc2F)Cl)C3(C1)CCN(C3=O)c4cncc5c4cccc5 | −9.5 ± 0.3 | 6.9 ± 0.2 |
| 113 | EDJ-MED-59d5ca70-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 | −9.5 ± 0.7 | 6.9 ± 0.5 |
| 114 | EDJ-MED-7d88f880-1 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)S(=N)(=O)C)c5cc(ccc5C1=O)Cl | −9.5 ± 0.4 | 6.9 ± 0.3 |
| 115 | EDJ-MED-9f4ac58c-6 |
|
COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −9.5 ± 0.7 | 6.9 ± 0.5 |
| 116 | VLA-UNK-5d8210f0-2 |
|
CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)F | −9.5 ± 0.3 | 6.9 ± 0.2 |
| 117 | MAT-POS-566864e2-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −9.5 ± 0.2 | 6.9 ± 0.2 |
| 118 | MAT-POS-1a788f51-3 |
|
CC(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.5 ± 0.8 | 6.9 ± 0.6 |
| 119 | MIK-ENA-60569a44-1 |
|
COc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.5 ± 0.8 | 6.9 ± 0.6 |
| 120 | EDJ-MED-b6c6ee2b-5 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl | −9.5 ± 0.6 | 6.9 ± 0.4 |
| 121 | EDJ-MED-d4864bdc-4 |
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −9.4 ± 0.6 | 6.9 ± 0.4 |
| 122 | MAT-POS-b4d6b7fc-5 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl | −9.4 ± 0.3 | 6.9 ± 0.2 |
| 123 | MAT-POS-e75f6e44-7 |
|
CN(C)C1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.4 ± 0.5 | 6.9 ± 0.4 |
| 124 | MIK-ENA-623fe2a6-1 |
|
C[C@@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −9.4 ± 0.8 | 6.8 ± 0.6 |
| 125 | MAT-POS-e75f6e44-15 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)F | −9.4 ± 0.3 | 6.8 ± 0.2 |
| 126 | EDG-MED-b1ef7fe3-2 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl | −9.4 ± 0.4 | 6.8 ± 0.3 |
| 127 | LUO-POS-868e8996-8 |
|
CNC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −9.3 ± 0.1 | 6.80 ± 0.09 |
| 128 | MIK-ENA-bb7b6957-1 |
|
COc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.3 ± 0.9 | 6.8 ± 0.6 |
| 129 | MAT-POS-1bed62cf-1 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.3 ± 0.1 | 6.77 ± 0.10 |
| 130 | MAT-POS-e75f6e44-4 |
|
CC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.3 ± 0.2 | 6.7 ± 0.2 |
| 131 | MAT-POS-e75f6e44-5 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)N | −9.2 ± 0.3 | 6.7 ± 0.2 |
| 132 | EDG-MED-b1ef7fe3-1 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl | −9.2 ± 0.1 | 6.74 ± 0.09 |
| 133 | EDJ-MED-a12e3a20-1 |
|
c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.2 ± 0.8 | 6.7 ± 0.6 |
| 134 | MAT-POS-566864e2-2 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 | −9.2 ± 0.3 | 6.7 ± 0.2 |
| 135 | VLA-UNK-f2612802-1 |
|
CNC(=O)CN1C([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F | −9.2 ± 0.4 | 6.7 ± 0.3 |
| 136 | MAT-POS-853c0ffa-22 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl | −9.2 ± 0.1 | 6.72 ± 0.10 |
| 137 | EDJ-MED-33064c06-7 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl | −9.2 ± 0.1 | 6.70 ± 0.10 |
| 138 | LUO-POS-e1dab717-4 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)Cl)c6cc(ccc6C2=O)Cl | −9.2 ± 0.3 | 6.7 ± 0.2 |
| 139 | EDJ-MED-976a33d5-2 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl | −9.2 ± 0.1 | 6.68 ± 0.10 |
| 140 | LUO-POS-ed2cfb03-1 |
|
CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.1 ± 0.9 | 6.7 ± 0.7 |
| 141 | LUO-POS-e1dab717-10 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl | −9.1 ± 0.1 | 6.65 ± 0.09 |
| 142 | MAT-POS-e75f6e44-8 |
|
C[C@@H](C1CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.1 ± 0.3 | 6.6 ± 0.3 |
| 143 | PET-UNK-77d5678a-3 |
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −9.1 ± 0.3 | 6.6 ± 0.2 |
| 144 | EDJ-MED-b6c6ee2b-2 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl | −9.1 ± 0.2 | 6.6 ± 0.2 |
| 145 | MAT-POS-853c0ffa-20 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)C(C)(C)O)Cl | −9.1 ± 0.9 | 6.6 ± 0.6 |
| 146 | ALP-POS-afe0272e-2 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl | −9.1 ± 0.4 | 6.6 ± 0.3 |
| 147 | MAT-POS-be048f2c-5 |
|
CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −9.1 ± 0.2 | 6.6 ± 0.2 |
| 148 | LUO-POS-868e8996-9 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −9.1 ± 0.8 | 6.6 ± 0.6 |
| 149 | EDJ-MED-33064c06-9 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6COC6 | −9.0 ± 0.2 | 6.6 ± 0.2 |
| 150 | LUO-POS-868e8996-11 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −9.0 ± 0.3 | 6.6 ± 0.2 |
| 151 | EDJ-MED-a12e3a20-2 |
|
CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 | −9.0 ± 0.4 | 6.5 ± 0.3 |
| 152 | EDJ-MED-5cd3920d-3 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl | −9.0 ± 0.5 | 6.5 ± 0.3 |
| 153 | MAT-POS-1bed62cf-2 |
|
CNC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −9.0 ± 0.1 | 6.52 ± 0.09 |
| 154 | LUO-POS-b4dec3be-2 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl | −9.0 ± 0.2 | 6.5 ± 0.2 |
| 155 | EDJ-MED-7e491f08-2 |
|
CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 | −8.9 ± 0.4 | 6.5 ± 0.3 |
| 156 | EDJ-MED-9f4ac58c-5 |
|
COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl | −8.9 ± 0.8 | 6.5 ± 0.6 |
| 157 | MAT-POS-e75f6e44-12 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO | −8.8 ± 0.3 | 6.4 ± 0.2 |
| 158 | EDJ-MED-94fddcec-7 |
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −8.8 ± 0.5 | 6.4 ± 0.4 |
| 159 | EDJ-MED-accc2c4d-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)[C@@]6C[C@@]6C#N | −8.8 ± 1.0 | 6.4 ± 0.7 |
| 160 | LUO-POS-e1dab717-9 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl | −8.8 ± 0.4 | 6.4 ± 0.3 |
| 161 | MAT-POS-e75f6e44-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)CN | −8.8 ± 0.4 | 6.4 ± 0.3 |
| 162 | PET-UNK-77d5678a-1 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 | −8.8 ± 0.2 | 6.4 ± 0.2 |
| 163 | EDJ-MED-33064c06-12 |
|
CC(C)(CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)O | −8.8 ± 0.4 | 6.4 ± 0.3 |
| 164 | ALP-POS-ecbed2ba-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −8.8 ± 1.0 | 6.4 ± 0.7 |
| 165 | LUO-POS-8c3e556a-1 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl | −8.8 ± 0.3 | 6.4 ± 0.2 |
| 166 | VLA-UCB-50c39ae8-2 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl | −8.8 ± 0.1 | 6.39 ± 0.09 |
| 167 | MAT-POS-e75f6e44-21 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F | −8.7 ± 0.6 | 6.4 ± 0.4 |
| 168 | EDJ-MED-accc2c4d-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)C6(CC6)C#N | −8.7 ± 0.8 | 6.4 ± 0.6 |
| 169 | EDJ-MED-cc48ee33-4 |
|
Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C | −8.7 ± 0.3 | 6.4 ± 0.2 |
| 170 | MAT-POS-b4d6b7fc-7 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl | −8.7 ± 0.3 | 6.3 ± 0.2 |
| 171 | EDJ-MED-cc48ee33-2 |
|
Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.7 ± 0.3 | 6.3 ± 0.2 |
| 172 | EDJ-MED-98c0a822-3 |
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.7 ± 0.6 | 6.3 ± 0.5 |
| 173 | EDJ-MED-dfa1d800-3 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl | −8.7 ± 0.7 | 6.3 ± 0.5 |
| 174 | EDG-MED-b1ef7fe3-3 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl | −8.7 ± 0.1 | 6.31 ± 0.09 |
| 175 | MAT-POS-50a80394-4 |
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 | −8.6 ± 0.3 | 6.3 ± 0.2 |
| 176 | EDJ-MED-33064c06-1 |
|
CC(C)(CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)N | −8.6 ± 0.5 | 6.3 ± 0.4 |
| 177 | EDJ-MED-33064c06-16 |
|
COC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.6 ± 0.5 | 6.3 ± 0.3 |
| 178 | MAT-POS-853c0ffa-8 |
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl | −8.6 ± 0.8 | 6.3 ± 0.6 |
| 179 | JOH-MSK-51c67e7d-2 |
|
CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl | −8.6 ± 0.2 | 6.3 ± 0.2 |
| 180 | PET-UNK-94036022-5 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl | −8.6 ± 0.8 | 6.3 ± 0.6 |
| 181 | EDG-MED-b1ef7fe3-4 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)Cl)c5cc(ccc5C1=O)Cl | −8.6 ± 0.1 | 6.26 ± 0.09 |
| 182 | MAT-POS-38eb6498-5 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl | −8.6 ± 0.1 | 6.25 ± 0.08 |
| 183 | LUO-POS-9931618f-1 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.6 ± 0.4 | 6.2 ± 0.3 |
| 184 | VLA-UNK-8e615992-4 |
|
CNC(=O)CN1C(C2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F | −8.6 ± 0.3 | 6.2 ± 0.2 |
| 185 | LUO-POS-e1dab717-3 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)Cl)Cl | −8.6 ± 0.2 | 6.2 ± 0.2 |
| 186 | LUO-POS-e1dab717-1 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.6 ± 0.3 | 6.2 ± 0.2 |
| 187 | MIK-ENA-5d9157e9-2 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −8.6 ± 0.8 | 6.2 ± 0.6 |
| 188 | MAT-POS-e75f6e44-10 |
|
COC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.5 ± 0.3 | 6.2 ± 0.3 |
| 189 | LUO-POS-8c3e556a-2 |
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl | −8.5 ± 0.3 | 6.2 ± 0.2 |
| 190 | MAT-POS-566864e2-4 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3[C@@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.5 ± 0.4 | 6.2 ± 0.3 |
| 191 | EDJ-MED-976a33d5-1 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.5 ± 0.3 | 6.2 ± 0.2 |
| 192 | ALP-POS-ecbed2ba-7 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.5 ± 0.3 | 6.2 ± 0.2 |
| 193 | EDJ-MED-b6c6ee2b-6 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl | −8.5 ± 0.4 | 6.2 ± 0.3 |
| 194 | MAT-POS-e75f6e44-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O | −8.5 ± 0.2 | 6.2 ± 0.2 |
| 195 | ALP-POS-c3a90b22-11 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 | −8.5 ± 0.3 | 6.2 ± 0.2 |
| 196 | EDJ-MED-6b23330e-5 |
|
CC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.5 ± 0.2 | 6.2 ± 0.1 |
| 197 | MAT-POS-69786b79-1 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.5 ± 0.3 | 6.2 ± 0.2 |
| 198 | PET-UNK-37c7074c-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 | −8.5 ± 0.2 | 6.2 ± 0.1 |
| 199 | MAT-POS-94643566-1 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl | −8.4 ± 0.1 | 6.15 ± 0.08 |
| 200 | EDJ-MED-33064c06-18 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NC6CC6 | −8.4 ± 0.3 | 6.2 ± 0.2 |
| 201 | EDJ-MED-40e596c8-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 | −8.4 ± 0.5 | 6.1 ± 0.4 |
| 202 | EDJ-MED-6b23330e-3 |
|
CC(C)(CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N | −8.4 ± 0.4 | 6.1 ± 0.3 |
| 203 | EDJ-MED-33064c06-10 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO | −8.4 ± 0.3 | 6.1 ± 0.2 |
| 204 | MAT-POS-853c0ffa-11 |
|
CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O | −8.4 ± 0.8 | 6.1 ± 0.6 |
| 205 | MIK-ENA-794411b8-1 |
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.4 ± 0.3 | 6.1 ± 0.2 |
| 206 | LUO-POS-9931618f-2 |
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.4 ± 0.3 | 6.1 ± 0.2 |
| 207 | MAT-POS-e75f6e44-6 |
|
CNC1(CC1)CNC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.4 ± 0.6 | 6.1 ± 0.5 |
| 208 | MAT-POS-e75f6e44-18 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F | −8.4 ± 0.3 | 6.1 ± 0.3 |
| 209 | ALP-POS-ecbed2ba-16 |
|
CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −8.4 ± 1.0 | 6.1 ± 0.7 |
| 210 | ALP-POS-c3a90b22-1 |
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.3 ± 0.7 | 6.1 ± 0.5 |
| 211 | MIK-ENA-37e0b697-1 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.3 ± 0.3 | 6.1 ± 0.2 |
| 212 | PET-UNK-94036022-7 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl | −8.3 ± 0.3 | 6.1 ± 0.2 |
| 213 | ALP-POS-c3a90b22-5 |
|
CNC(=O)CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.3 ± 0.4 | 6.1 ± 0.3 |
| 214 | JOH-MSK-51c67e7d-1 |
|
CN1Cc2ccc(cc2[C@@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl | −8.3 ± 0.3 | 6.1 ± 0.2 |
| 215 | VLA-UNK-61877630-10 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F | −8.3 ± 0.9 | 6.0 ± 0.7 |
| 216 | EDJ-MED-cc48ee33-3 |
|
Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.3 ± 0.2 | 6.0 ± 0.2 |
| 217 | VLA-UNK-e334495f-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)c5cc(ccc5CN(C4C(F)F)S(=O)(=O)CC6(CC6)C#N)Cl | −8.3 ± 0.5 | 6.0 ± 0.4 |
| 218 | EDJ-MED-ee81482e-5 |
|
c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CCC6(C5=O)CN(Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N | −8.3 ± 0.8 | 6.0 ± 0.6 |
| 219 | PET-UNK-626a1084-2 |
|
C#CCN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.3 ± 0.4 | 6.0 ± 0.3 |
| 220 | MIK-ENA-e143773d-1 |
|
CC[C@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −8.3 ± 0.8 | 6.0 ± 0.6 |
| 221 | LUO-POS-e1dab717-2 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.2 ± 0.3 | 6.0 ± 0.2 |
| 222 | MAT-POS-853c0ffa-1 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl | −8.2 ± 0.1 | 5.99 ± 0.09 |
| 223 | PET-UNK-37c7074c-2 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccon6 | −8.2 ± 0.2 | 6.0 ± 0.1 |
| 224 | EDJ-MED-9f4ac58c-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −8.2 ± 0.6 | 6.0 ± 0.4 |
| 225 | EDJ-MED-94fddcec-5 |
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −8.2 ± 0.5 | 6.0 ± 0.3 |
| 226 | PET-UNK-c6bcc80b-11 |
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −8.2 ± 0.9 | 6.0 ± 0.6 |
| 227 | EDJ-MED-33064c06-13 |
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.2 ± 0.3 | 6.0 ± 0.2 |
| 228 | VLA-UNK-61877630-3 |
|
CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F | −8.2 ± 0.3 | 5.9 ± 0.2 |
| 229 | PET-UNK-94036022-14 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl | −8.2 ± 0.3 | 5.9 ± 0.2 |
| 230 | PET-UNK-37c7074c-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6ccno6 | −8.1 ± 0.2 | 5.9 ± 0.1 |
| 231 | MAT-POS-e75f6e44-20 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 | −8.1 ± 0.5 | 5.9 ± 0.3 |
| 232 | MAT-POS-50a80394-5 |
|
CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 | −8.1 ± 0.2 | 5.9 ± 0.1 |
| 233 | MAT-POS-1d5ab790-3 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl | −8.1 ± 0.1 | 5.91 ± 0.09 |
| 234 | BEN-BAS-c2bc0d80-6 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl | −8.1 ± 0.1 | 5.90 ± 0.08 |
| 235 | MAT-POS-50a80394-7 |
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C | −8.1 ± 0.3 | 5.9 ± 0.3 |
| 236 | MAT-POS-c7726e07-5 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −8.1 ± 0.2 | 5.9 ± 0.1 |
| 237 | PET-UNK-626a1084-4 |
|
C#CCN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −8.1 ± 0.3 | 5.9 ± 0.3 |
| 238 | EDJ-MED-40e596c8-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 | −8.1 ± 0.7 | 5.9 ± 0.5 |
| 239 | MAT-POS-e75f6e44-17 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O | −8.0 ± 0.3 | 5.9 ± 0.2 |
| 240 | ALP-POS-c3a90b22-8 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)CC6(CC6)C#N | −8.0 ± 0.4 | 5.8 ± 0.3 |
| 241 | MAT-POS-566864e2-3 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −8.0 ± 0.2 | 5.8 ± 0.2 |
| 242 | ALP-POS-4483ae88-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl | −8.0 ± 0.4 | 5.8 ± 0.3 |
| 243 | MAT-POS-576f7758-2 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −8.0 ± 0.3 | 5.8 ± 0.3 |
| 244 | MAT-POS-be048f2c-7 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 | −8.0 ± 0.3 | 5.8 ± 0.2 |
| 245 | EDJ-MED-94fddcec-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −7.9 ± 0.4 | 5.8 ± 0.3 |
| 246 | MAT-POS-ddfe83c6-1 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl | −7.9 ± 0.3 | 5.8 ± 0.2 |
| 247 | PET-UNK-aa57768f-3 |
|
C#CCN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.9 ± 0.3 | 5.8 ± 0.2 |
| 248 | EDJ-MED-98c0a822-1 |
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl | −7.9 ± 0.7 | 5.7 ± 0.5 |
| 249 | PET-UNK-626a1084-3 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N | −7.9 ± 0.2 | 5.7 ± 0.2 |
| 250 | VLA-UNK-61877630-6 |
|
CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F | −7.8 ± 0.3 | 5.7 ± 0.2 |
| 251 | MAT-POS-576f7758-1 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −7.8 ± 0.3 | 5.7 ± 0.2 |
| 252 | JOH-MSK-1f2dff76-2 |
|
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl | −7.8 ± 0.2 | 5.7 ± 0.2 |
| 253 | PET-UNK-14142a25-10 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.8 ± 0.3 | 5.7 ± 0.2 |
| 254 | EDJ-MED-ede5c6cb-1 |
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −7.8 ± 0.4 | 5.7 ± 0.3 |
| 255 | EDJ-MED-33064c06-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 | −7.8 ± 0.4 | 5.7 ± 0.3 |
| 256 | ALP-POS-ecbed2ba-15 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N | −7.8 ± 1.0 | 5.7 ± 0.7 |
| 257 | MIK-ENA-5d9157e9-1 |
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −7.7 ± 0.6 | 5.6 ± 0.5 |
| 258 | PET-UNK-626a1084-1 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N | −7.7 ± 0.3 | 5.6 ± 0.2 |
| 259 | VLA-UNK-5d8210f0-4 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1C(F)(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl | −7.7 ± 0.4 | 5.6 ± 0.3 |
| 260 | JOH-MSK-4bb3d434-2 |
|
COC(=O)CN1CC2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.7 ± 0.3 | 5.6 ± 0.2 |
| 261 | LUO-POS-e1dab717-5 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OC)Cl | −7.7 ± 0.3 | 5.6 ± 0.2 |
| 262 | EDJ-MED-59d5ca70-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NCC7CC7 | −7.7 ± 0.3 | 5.6 ± 0.2 |
| 263 | JOH-MSK-4bb3d434-1 |
|
COC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.6 ± 0.3 | 5.5 ± 0.2 |
| 264 | EDJ-MED-40e596c8-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 | −7.6 ± 0.3 | 5.5 ± 0.2 |
| 265 | LUO-POS-e1dab717-11 |
|
CCNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl | −7.6 ± 0.5 | 5.5 ± 0.3 |
| 266 | EDJ-MED-33064c06-5 |
|
CN(C)C1(CC1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −7.6 ± 0.4 | 5.5 ± 0.3 |
| 267 | MAT-POS-853c0ffa-12 |
|
CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O | −7.5 ± 0.8 | 5.5 ± 0.6 |
| 268 | EDJ-MED-33064c06-11 |
|
CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −7.5 ± 0.5 | 5.5 ± 0.4 |
| 269 | VLA-UNK-61877630-4 |
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5C1=O)F)Cl | −7.5 ± 0.3 | 5.5 ± 0.2 |
| 270 | MAT-POS-38eb6498-4 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl | −7.5 ± 0.5 | 5.4 ± 0.4 |
| 271 | ALP-POS-c3a90b22-4 |
|
CNC(=O)C1(COC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −7.4 ± 0.3 | 5.4 ± 0.2 |
| 272 | MAT-POS-be048f2c-6 |
|
CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −7.4 ± 0.4 | 5.4 ± 0.3 |
| 273 | VLA-UNK-61877630-8 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N | −7.4 ± 0.8 | 5.4 ± 0.6 |
| 274 | VLA-UNK-e334495f-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N | −7.4 ± 0.8 | 5.4 ± 0.6 |
| 275 | EDJ-MED-b6c6ee2b-3 |
|
COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −7.4 ± 0.9 | 5.4 ± 0.6 |
| 276 | VLA-UNK-3bd6fc51-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(F)(F)Cl | −7.4 ± 0.2 | 5.4 ± 0.1 |
| 277 | EDJ-MED-8bb691af-8 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.4 ± 0.3 | 5.4 ± 0.2 |
| 278 | ALP-POS-ecbed2ba-8 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N | −7.4 ± 0.9 | 5.4 ± 0.6 |
| 279 | ALP-POS-ecbed2ba-1 |
|
CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −7.3 ± 0.8 | 5.4 ± 0.6 |
| 280 | MIC-UNK-c85ea37c-1 |
|
c1ccc2c(c1)cncc2N3CC(C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)CC7CCCCC7 | −7.3 ± 0.9 | 5.3 ± 0.6 |
| 281 | MAT-POS-853c0ffa-7 |
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl | −7.3 ± 0.6 | 5.3 ± 0.5 |
| 282 | EDJ-MED-94fddcec-6 |
|
CN(c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C | −7.3 ± 0.5 | 5.3 ± 0.4 |
| 283 | VLA-UNK-61877630-7 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N | −7.3 ± 0.9 | 5.3 ± 0.6 |
| 284 | EDJ-MED-4138fde9-6 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCNCC(F)(F)F)c6cc(ccc6C2=O)Cl | −7.3 ± 0.6 | 5.3 ± 0.5 |
| 285 | MAT-POS-853c0ffa-13 |
|
c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −7.3 ± 0.9 | 5.3 ± 0.6 |
| 286 | EDJ-MED-4138fde9-4 |
|
CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCNCC(F)(F)F)Cl | −7.3 ± 0.4 | 5.3 ± 0.3 |
| 287 | VLA-UNK-8e615992-2 |
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl | −7.2 ± 0.4 | 5.3 ± 0.3 |
| 288 | EDJ-MED-33064c06-6 |
|
CN1CC(C1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −7.2 ± 0.4 | 5.3 ± 0.3 |
| 289 | 12_-111-3e02a1cd-2 |
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −7.2 ± 0.3 | 5.3 ± 0.2 |
| 290 | PET-UNK-94036022-11 |
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl | −7.2 ± 0.8 | 5.2 ± 0.6 |
| 291 | MAT-POS-853c0ffa-17 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl | −7.1 ± 0.9 | 5.2 ± 0.6 |
| 292 | MAT-POS-853c0ffa-5 |
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −7.1 ± 0.1 | 5.15 ± 0.10 |
| 293 | EDJ-MED-33064c06-3 |
|
CNC1(CC1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl | −7.0 ± 0.5 | 5.1 ± 0.4 |
| 294 | MAT-POS-1d5ab790-1 |
|
c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −7.0 ± 0.1 | 5.09 ± 0.10 |
| 295 | MIK-ENA-be04d1d4-1 |
|
CC[C@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −7.0 ± 0.8 | 5.1 ± 0.6 |
| 296 | EDJ-MED-b6c6ee2b-4 |
|
c1cc2cncc(c2cc1Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −6.9 ± 0.7 | 5.0 ± 0.5 |
| 297 | PET-UNK-94036022-4 |
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl | −6.9 ± 0.6 | 5.0 ± 0.4 |
| 298 | EDJ-MED-40e596c8-5 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 | −6.8 ± 0.4 | 5.0 ± 0.3 |
| 299 | EDJ-MED-dfa1d800-1 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl | −6.8 ± 0.4 | 5.0 ± 0.3 |
| 300 | VLA-UNK-f2612802-3 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl | −6.8 ± 0.5 | 4.9 ± 0.3 |
| 301 | EDJ-MED-8bb691af-6 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −6.7 ± 0.8 | 4.9 ± 0.6 |
| 302 | EDJ-MED-dfa1d800-2 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl | −6.7 ± 0.3 | 4.9 ± 0.2 |
| 303 | VLA-UNK-e334495f-2 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N | −6.7 ± 0.6 | 4.9 ± 0.5 |
| 304 | EDJ-MED-40e596c8-1 |
|
CNS(=O)(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −6.7 ± 0.4 | 4.9 ± 0.3 |
| 305 | ALP-POS-ecbed2ba-3 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −6.6 ± 0.9 | 4.8 ± 0.7 |
| 306 | ALP-POS-477dc5b7-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl | −6.6 ± 0.3 | 4.8 ± 0.2 |
| 307 | VLA-UNK-3a43cd95-3 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(c(c5)F)Cl | −6.6 ± 0.2 | 4.8 ± 0.2 |
| 308 | EDJ-MED-d4864bdc-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl | −6.6 ± 0.3 | 4.8 ± 0.3 |
| 309 | VLA-UNK-f2612802-2 |
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl | −6.6 ± 0.5 | 4.8 ± 0.4 |
| 310 | JOH-MSK-1f2dff76-4 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl | −6.6 ± 0.4 | 4.8 ± 0.3 |
| 311 | EDJ-MED-468565e0-5 |
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −6.6 ± 1.0 | 4.8 ± 0.7 |
| 312 | VLA-UCB-05e51b3f-5 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl | −6.6 ± 0.1 | 4.78 ± 0.08 |
| 313 | EDJ-MED-4138fde9-3 |
|
CNCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C6(CC6)C(=O)NC | −6.5 ± 0.4 | 4.8 ± 0.3 |
| 314 | DAR-DIA-6be260fc-5 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl | −6.5 ± 0.3 | 4.7 ± 0.2 |
| 315 | EDJ-MED-98c0a822-2 |
|
CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl | −6.4 ± 0.5 | 4.7 ± 0.4 |
| 316 | EDJ-MED-accc2c4d-1 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CCC#N | −6.4 ± 0.8 | 4.6 ± 0.6 |
| 317 | MAT-POS-853c0ffa-6 |
|
c1cc2c(cc1Cl)C3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)CN(C2)S(=O)(=O)CC6(CC6)C#N | −6.4 ± 0.1 | 4.64 ± 0.10 |
| 318 | LUO-POS-e1dab717-19 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)O | −6.4 ± 0.3 | 4.6 ± 0.2 |
| 319 | EDJ-MED-4138fde9-2 |
|
c1cc2cncc(c2cc1OCCNCC(F)(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −6.3 ± 1.0 | 4.6 ± 0.7 |
| 320 | EDJ-MED-159244ea-1 |
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl | −6.2 ± 0.3 | 4.5 ± 0.2 |
| 321 | LUO-POS-868e8996-10 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −6.2 ± 0.1 | 4.51 ± 0.10 |
| 322 | ALP-POS-ecbed2ba-20 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 | −6 ± 1 | 4.5 ± 0.7 |
| 323 | EDJ-MED-accc2c4d-3 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC#N | −6.2 ± 0.7 | 4.5 ± 0.5 |
| 324 | EDJ-MED-ede5c6cb-2 |
|
c1cc2c(cc1NS(=O)(=O)C3CC3)cncc2N4CCC5(C4=O)CCS(=O)(=O)c6c5cc(cc6)Cl | −6.2 ± 0.4 | 4.5 ± 0.3 |
| 325 | EDJ-MED-7587a9ee-3 |
|
CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −6.2 ± 0.8 | 4.5 ± 0.5 |
| 326 | ALP-POS-ecbed2ba-6 |
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −6.2 ± 0.7 | 4.5 ± 0.5 |
| 327 | MIK-ENA-0547b12c-1 |
|
CC[C@@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −6.1 ± 0.9 | 4.5 ± 0.6 |
| 328 | VLA-UNK-5d8210f0-5 |
|
CNC(=O)CN1Cc2ccc(cc2C3(C1C(F)F)CCN(C3=O)c4cncc5c4cccc5)Cl | −6.1 ± 0.4 | 4.4 ± 0.3 |
| 329 | LUO-POS-868e8996-7 |
|
CNC(=O)CN1C[C@@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl | −6.0 ± 0.1 | 4.34 ± 0.09 |
| 330 | MAT-POS-50a80394-3 |
|
CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −5.9 ± 0.8 | 4.3 ± 0.6 |
| 331 | ALP-POS-ecbed2ba-19 |
|
CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −6 ± 1 | 4.3 ± 0.8 |
| 332 | MAT-POS-853c0ffa-14 |
|
COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl | −5.8 ± 0.9 | 4.2 ± 0.7 |
| 333 | EDJ-MED-dfa1d800-4 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl | −5.8 ± 0.4 | 4.2 ± 0.3 |
| 334 | PET-UNK-94036022-9 |
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −5.8 ± 0.8 | 4.2 ± 0.6 |
| 335 | JOH-MSK-1f2dff76-3 |
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CNCc5c4cc(cc5)Cl | −5.7 ± 0.4 | 4.2 ± 0.3 |
| 336 | EDJ-MED-5cd3920d-2 |
|
c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −5.7 ± 0.8 | 4.1 ± 0.6 |
| 337 | EDJ-MED-468565e0-1 |
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −5.5 ± 0.8 | 4.0 ± 0.6 |
| 338 | MIK-ENA-edcfce18-1 |
|
CC[C@@H]1CN(C(=O)[C@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −5.4 ± 0.5 | 4.0 ± 0.4 |
| 339 | PET-UNK-94036022-10 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl | −5.4 ± 0.8 | 3.9 ± 0.6 |
| 340 | ALP-POS-ecbed2ba-5 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 | −5.3 ± 0.9 | 3.9 ± 0.7 |
| 341 | PET-UNK-94036022-12 |
|
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl | −5.3 ± 0.9 | 3.9 ± 0.7 |
| 342 | MIK-ENA-2c0ad173-1 |
|
C[C@@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −5.3 ± 0.7 | 3.8 ± 0.5 |
| 343 | EDJ-MED-f9b78f78-4 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl | −5.1 ± 0.4 | 3.7 ± 0.3 |
| 344 | MAT-POS-853c0ffa-21 |
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)F)Cl | −5.1 ± 0.8 | 3.7 ± 0.6 |
| 345 | MAT-POS-40ad851a-1 |
|
CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −5.0 ± 0.6 | 3.7 ± 0.4 |
| 346 | ALP-POS-ecbed2ba-18 |
|
CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −5.0 ± 0.9 | 3.7 ± 0.7 |
| 347 | EDJ-MED-3707c4bc-1 |
|
CC(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −5.0 ± 0.9 | 3.6 ± 0.7 |
| 348 | LUO-POS-e1dab717-16 |
|
CC1(CC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6)C | −5.0 ± 1.0 | 3.6 ± 0.7 |
| 349 | EDJ-MED-976a33d5-3 |
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl | −4.9 ± 0.9 | 3.6 ± 0.6 |
| 350 | ALP-POS-ecbed2ba-17 |
|
CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −4.9 ± 0.8 | 3.6 ± 0.5 |
| 351 | ALP-POS-ecbed2ba-11 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCOCC6)C#N | −4.6 ± 0.9 | 3.4 ± 0.7 |
| 352 | ALP-POS-ecbed2ba-10 |
|
COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl | −4.6 ± 0.8 | 3.3 ± 0.6 |
| 353 | MIC-UNK-c85ea37c-3 |
|
CN(C)c1ccc(cc1)C2CN(C(=O)C23CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 | −4.5 ± 0.8 | 3.3 ± 0.6 |
| 354 | ALP-POS-ecbed2ba-13 |
|
CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N | −4.4 ± 0.9 | 3.2 ± 0.7 |
| 355 | EDJ-MED-3707c4bc-2 |
|
CC(C)(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −4.4 ± 0.7 | 3.2 ± 0.5 |
| 356 | MIC-UNK-c85ea37c-2 |
|
CCC(=O)Nc1ccc(cc1)C2CN(C(=O)C23CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 | −4.4 ± 0.8 | 3.2 ± 0.6 |
| 357 | EDJ-MED-ee81482e-4 |
|
c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −4 ± 1 | 3.1 ± 0.7 |
| 358 | MIK-ENA-17e27e9c-1 |
|
C[C@H]1CN(C(=O)[C@@]12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −4.2 ± 0.6 | 3.1 ± 0.4 |
| 359 | MIC-UNK-257d841f-1 |
|
c1ccc2c(c1)cncc2N3CC(C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)C7CC7 | −4.0 ± 0.8 | 2.9 ± 0.6 |
| 360 | MAT-POS-50a80394-8 |
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C | −4.0 ± 0.9 | 2.9 ± 0.7 |
| 361 | LUO-POS-ed2cfb03-2 |
|
CNS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −4.0 ± 0.8 | 2.9 ± 0.6 |
| 362 | MAT-POS-50a80394-1 |
|
CC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 | −3.8 ± 0.6 | 2.7 ± 0.4 |
| 363 | ALP-POS-ecbed2ba-21 |
|
CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl | −3.7 ± 0.9 | 2.7 ± 0.6 |
| 364 | MIK-ENA-8063e9dc-1 |
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −3.6 ± 0.9 | 2.7 ± 0.6 |
| 365 | EDJ-MED-4138fde9-7 |
|
CN1CC(C1)(CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C#N | −3.6 ± 0.8 | 2.6 ± 0.6 |
| 366 | MAT-POS-40ad851a-4 |
|
CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −3.5 ± 0.9 | 2.5 ± 0.7 |
| 367 | ALP-POS-ecbed2ba-22 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N | −3.5 ± 0.8 | 2.5 ± 0.6 |
| 368 | PET-UNK-94036022-6 |
|
C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 | −3 ± 1 | 2.5 ± 0.7 |
| 369 | ALP-POS-ecbed2ba-9 |
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CC(C6)C#N | −3 ± 1 | 2.4 ± 0.8 |
| 370 | EDJ-MED-468565e0-2 |
|
c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −3.0 ± 0.6 | 2.2 ± 0.4 |
| 371 | LUO-POS-d1147590-1 |
|
CN1CCC(CC1)Oc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −2.9 ± 1.0 | 2.1 ± 0.7 |
| 372 | LUO-POS-f7b1afe6-2 |
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C | −3 ± 1 | 1.9 ± 0.8 |
| 373 | MAT-POS-40ad851a-2 |
|
CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −2.2 ± 0.7 | 1.6 ± 0.5 |
| 374 | EDJ-MED-ee81482e-3 |
|
CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O | −2.0 ± 0.8 | 1.5 ± 0.6 |
| 375 | MAT-POS-40ad851a-3 |
|
CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −1.5 ± 0.7 | 1.1 ± 0.5 |
| 376 | MAT-POS-40ad851a-5 |
|
c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | −1.4 ± 0.6 | 1.0 ± 0.5 |
| 377 | MAT-POS-1a788f51-4 |
|
CC(C)(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N | −0.8 ± 1.0 | 0.6 ± 0.7 |
| 378 | PET-UNK-94036022-13 |
|
C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 | 0.5 ± 0.9 | −0.3 ± 0.7 |
| 379 | EDJ-MED-468565e0-4 |
|
c1cc2cncc(c2cc1OCCN3CCC(CC3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | 0.8 ± 0.6 | −0.6 ± 0.4 |
| 380 | EDJ-MED-468565e0-3 |
|
c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N | 2.4 ± 0.9 | −1.7 ± 0.6 |