COVID Moonshot Sprint 5 to prioritize benzopyran-isoquinoline series based on x11498 (MAT-POS-b3e365b9-1) to optimize substituents in the P1' pocket with Mpro dimer and neutral Cys145:His41
| Rank | Compound | SMILES | ΔG / kcal mol-1 | pIC50 | |
|---|---|---|---|---|---|
| 1 | DAR-DIA-5ff57136-12 |
|
c1ccc2c(c1)cncc2N(C#CC3CCCN3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl | −12.7 ± 0.2 | 9.2 ± 0.1 |
| 2 | DAR-DIA-5ff57136-17 |
|
c1ccc2c(c1)cncc2N(CC#CBr)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −12.5 ± 0.2 | 9.1 ± 0.1 |
| 3 | EN300-263085_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cnnn6 | −12.5 ± 0.3 | 9.1 ± 0.2 |
| 4 | EN300-99391_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOC5 | −12.4 ± 0.4 | 9.0 ± 0.3 |
| 5 | DAR-DIA-5ff57136-16 |
|
CC(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −12.3 ± 0.1 | 8.9 ± 0.1 |
| 6 | EN300-1073320_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5(CCC5)O)O | −12.2 ± 0.4 | 8.9 ± 0.3 |
| 7 | EN300-1696962_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCn5cnnn5 | −12.1 ± 0.3 | 8.8 ± 0.2 |
| 8 | EN300-219496_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCCN(C5)S(=O)(=O)N | −12.1 ± 0.6 | 8.8 ± 0.4 |
| 9 | EN300-364679_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cnnn5 | −12.1 ± 0.3 | 8.8 ± 0.2 |
| 10 | EN300-1703852_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5COC(=O)N5 | −12.0 ± 0.3 | 8.8 ± 0.2 |
| 11 | EN300-33513_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CSCC(=O)N | −12.0 ± 0.3 | 8.7 ± 0.2 |
| 12 | EN300-86878_1 |
|
C#CCSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.9 ± 0.2 | 8.7 ± 0.2 |
| 13 | ALP-UNI-44c99a80-2 |
|
c1ccc2c(c1)cncc2N(Cc3cnc[nH]3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl | −11.9 ± 0.2 | 8.7 ± 0.1 |
| 14 | DAR-DIA-5ff57136-10 |
|
c1ccc2c(c1)cncc2N(C#CC#N)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −11.9 ± 0.1 | 8.7 ± 0.1 |
| 15 | EN300-174603_3 |
|
CN(C(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC | −11.8 ± 0.3 | 8.6 ± 0.2 |
| 16 | EN300-315792_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F | −11.8 ± 0.3 | 8.6 ± 0.2 |
| 17 | EN300-254883_1 |
|
Cc1c(non1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.8 ± 0.2 | 8.6 ± 0.2 |
| 18 | EN300-2908024_3 |
|
CCC(C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.8 ± 0.5 | 8.6 ± 0.4 |
| 19 | DAR-DIA-5ff57136-13 |
|
C#CCN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −11.7 ± 0.1 | 8.55 ± 0.10 |
| 20 | EN300-702714_1 |
|
Cc1c(c(=O)cco1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.7 ± 0.3 | 8.5 ± 0.2 |
| 21 | EN300-365398_3 |
|
Cn1c(nnn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.7 ± 0.4 | 8.5 ± 0.3 |
| 22 | EN300-197715_3 |
|
Cc1nnnn1CCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.7 ± 0.3 | 8.5 ± 0.2 |
| 23 | EN300-10170_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(CO)NC(=O)N | −11.5 ± 0.3 | 8.4 ± 0.2 |
| 24 | FRA-DIA-13af2da5-2 |
|
CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.5 ± 0.2 | 8.4 ± 0.2 |
| 25 | EN300-212341_1 |
|
Cn1ccnc1COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.5 ± 0.3 | 8.4 ± 0.2 |
| 26 | EN300-106432_1 |
|
C#CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.5 ± 0.2 | 8.4 ± 0.1 |
| 27 | EN300-195924_3 |
|
CC1(CCC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.5 ± 0.4 | 8.4 ± 0.3 |
| 28 | EN300-251396_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC(C5)(CO)O | −11.5 ± 0.5 | 8.4 ± 0.4 |
| 29 | EN300-39501_1 |
|
COCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.5 ± 0.3 | 8.4 ± 0.2 |
| 30 | EN300-301925_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCOC5)C#N | −11.3 ± 0.3 | 8.2 ± 0.2 |
| 31 | EN300-310398_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)S(=O)(=O)N | −11.3 ± 0.3 | 8.2 ± 0.2 |
| 32 | EN300-10895_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCC#N | −11.3 ± 0.2 | 8.2 ± 0.2 |
| 33 | EN300-62574_3 |
|
Cn1c(nnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.3 ± 0.3 | 8.2 ± 0.2 |
| 34 | EN300-204936_1 |
|
Cn1c(cnn1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.2 ± 0.2 | 8.2 ± 0.2 |
| 35 | EN300-246440_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cncn6 | −11.2 ± 0.5 | 8.2 ± 0.3 |
| 36 | EN300-202922_3 |
|
CC(C(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O | −11.2 ± 0.3 | 8.2 ± 0.2 |
| 37 | EN300-260816_3 |
|
CN1CCC(C1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.2 ± 0.3 | 8.2 ± 0.2 |
| 38 | EN300-260152_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnns5 | −11.2 ± 0.2 | 8.2 ± 0.2 |
| 39 | EN300-80522_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC5CCOC5 | −11.2 ± 0.2 | 8.2 ± 0.1 |
| 40 | EN300-172179_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCOC5=O | −11.2 ± 0.3 | 8.2 ± 0.2 |
| 41 | EN300-173006_3 |
|
CC(c1nnnn1C)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.2 ± 0.2 | 8.1 ± 0.2 |
| 42 | EN300-171766_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5n[nH]c(=O)s5 | −11.2 ± 0.3 | 8.1 ± 0.2 |
| 43 | EN300-218116_2 |
|
CC(CO)(CO)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.2 ± 0.4 | 8.1 ± 0.3 |
| 44 | EN300-103144_1 |
|
CSCCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O | −11.2 ± 0.3 | 8.1 ± 0.2 |
| 45 | EN300-7436306_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NO[C@H]6[C@@H]5COC6 | −11.1 ± 0.2 | 8.1 ± 0.2 |
| 46 | EN300-1719075_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(COC6)C(C5)(CO)F | −11.1 ± 0.4 | 8.1 ± 0.3 |
| 47 | EN300-783124_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5CCOC5)F | −11.1 ± 0.2 | 8.1 ± 0.1 |
| 48 | EN300-113218_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CSC5CCOC5=O | −11.1 ± 0.3 | 8.1 ± 0.2 |
| 49 | EN300-07879_1 |
|
CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.1 ± 0.2 | 8.1 ± 0.2 |
| 50 | EN300-120820_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cn[nH]c5=O | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 51 | EN300-12929_1 |
|
Cc1cc(no1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 52 | VLA-UCB-34f3ed0c-21 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCC5CC(=O)NC5 | −11.0 ± 0.3 | 8.0 ± 0.3 |
| 53 | EN300-92472_1 |
|
Cn1c(ccn1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 54 | EN300-13890_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CSC5CCS(=O)(=O)C5 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 55 | EN300-205635_1 |
|
COC(=O)COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.0 ± 0.2 | 8.0 ± 0.2 |
| 56 | EN300-1600517_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(CO)F | −11.0 ± 0.2 | 8.0 ± 0.2 |
| 57 | EN300-179091_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(F)F | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 58 | EN300-21303_1 |
|
CCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 59 | EN300-246747_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CC(=O)NC5 | −11.0 ± 0.2 | 8.0 ± 0.1 |
| 60 | EN300-60033_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC5CCCO5 | −11.0 ± 0.2 | 8.0 ± 0.2 |
| 61 | VLA-UCB-551c2366-1 |
|
CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −11.0 ± 0.2 | 8.0 ± 0.2 |
| 62 | EN300-6482967_2 |
|
CNS(=O)(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −11.0 ± 0.4 | 8.0 ± 0.3 |
| 63 | EN300-195590_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCCNC(=O)C5 | −11.0 ± 0.4 | 8.0 ± 0.3 |
| 64 | EN300-316258_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCc5cc[nH]c(=O)c5 | −10.9 ± 0.3 | 8.0 ± 0.2 |
| 65 | EN300-1932780_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(C(F)F)O | −10.9 ± 0.3 | 8.0 ± 0.2 |
| 66 | EN300-1911992_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(C5CCOC5)O | −10.9 ± 0.4 | 7.9 ± 0.3 |
| 67 | VLA-UCB-34f3ed0c-8 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5cc[nH]n5 | −10.9 ± 0.3 | 7.9 ± 0.2 |
| 68 | VLA-UCB-50c39ae8-9 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 | −10.9 ± 0.3 | 7.9 ± 0.2 |
| 69 | EN300-216673_2 |
|
Cn1c(cnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −10.9 ± 0.3 | 7.9 ± 0.2 |
| 70 | EN300-67023_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)CC5CCCO5 | −10.9 ± 0.4 | 7.9 ± 0.3 |
| 71 | EN300-1715993_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5ccnn5 | −10.9 ± 0.2 | 7.9 ± 0.2 |
| 72 | EN300-227218_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6CCC5C6 | −10.9 ± 0.3 | 7.9 ± 0.2 |
| 73 | EN300-195756_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CCC(=O)N5 | −10.9 ± 0.2 | 7.9 ± 0.1 |
| 74 | EN300-11195_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC5 | −10.8 ± 0.3 | 7.9 ± 0.2 |
| 75 | EN300-175186_3 |
|
CC(CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −10.8 ± 0.2 | 7.9 ± 0.2 |
| 76 | EN300-73772_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]c(=O)[nH]n5 | −10.8 ± 0.3 | 7.9 ± 0.2 |
| 77 | EN300-65839_4 |
|
CCC(C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −10.8 ± 0.4 | 7.9 ± 0.3 |
| 78 | ALP-UNI-44c99a80-3 |
|
c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl | −10.8 ± 0.2 | 7.8 ± 0.1 |
| 79 | EN300-83766_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC#CCO | −10.8 ± 0.2 | 7.8 ± 0.1 |
| 80 | EN300-108236_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cc(nn5)CO | −10.8 ± 0.3 | 7.8 ± 0.2 |
| 81 | EN300-128750_1 |
|
CC(=O)N(C)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −10.8 ± 0.3 | 7.8 ± 0.2 |
| 82 | EN300-755161_3 |
|
Cn1ncc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −10.7 ± 0.3 | 7.8 ± 0.3 |
| 83 | EN300-3710141_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCO5)C#N | −10.7 ± 0.3 | 7.8 ± 0.2 |
| 84 | EN300-205486_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnccc5O | −10.7 ± 0.3 | 7.8 ± 0.2 |
| 85 | EN300-185378_3 |
|
CC(COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O | −10.7 ± 0.2 | 7.8 ± 0.2 |
| 86 | EN300-6494158_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CC(CO5)CO | −10.7 ± 0.2 | 7.8 ± 0.2 |
| 87 | EN300-221518_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO | −10.7 ± 0.1 | 7.8 ± 0.1 |
| 88 | DAR-DIA-5ff57136-14 |
|
CC(C)(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −10.7 ± 0.2 | 7.8 ± 0.2 |
| 89 | EN300-171766_4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5n[nH]c(=O)s5 | −10.7 ± 0.3 | 7.8 ± 0.2 |
| 90 | EN300-1715993_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 | −10.7 ± 0.2 | 7.8 ± 0.1 |
| 91 | EN300-51736_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5cccc(c5)C(=O)N | −10.7 ± 0.3 | 7.8 ± 0.2 |
| 92 | VLA-UCB-34f3ed0c-4 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc[nH]n5 | −10.7 ± 0.2 | 7.8 ± 0.2 |
| 93 | EN300-1705754_3 |
|
CC1(CS(=O)(=O)C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −10.7 ± 0.3 | 7.8 ± 0.2 |
| 94 | EN300-66432_3 |
|
CN(C)S(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −10.6 ± 0.4 | 7.7 ± 0.3 |
| 95 | EN300-370967_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O | −10.6 ± 0.2 | 7.7 ± 0.1 |
| 96 | DAR-DIA-5ff57136-11 |
|
C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −10.6 ± 0.2 | 7.7 ± 0.1 |
| 97 | EN300-7463171_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCO | −10.6 ± 0.6 | 7.7 ± 0.5 |
| 98 | EN300-173216_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC5CC5 | −10.6 ± 0.2 | 7.7 ± 0.2 |
| 99 | EN300-1248250_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)C(=O)N | −10.6 ± 0.2 | 7.7 ± 0.2 |
| 100 | EN300-51028_1 |
|
CC(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −10.6 ± 0.3 | 7.7 ± 0.2 |