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 monomer and neutral Cys145:His41
| Rank | Compound | SMILES | ΔG / kcal mol-1 | pIC50 | |
|---|---|---|---|---|---|
| 1 | EN300-6494474_2 |
|
Cn1cnnc1CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −22.5 ± 0.2 | 16.4 ± 0.2 |
| 2 | EN300-07676_2 |
|
c1ccc(cc1)CC(=O)NCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −22.3 ± 0.3 | 16.2 ± 0.2 |
| 3 | EN300-6744029_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccsc5n6cnnn6 | −22.2 ± 0.3 | 16.2 ± 0.2 |
| 4 | EN300-6477475_2 |
|
COCc1cc(no1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −22.2 ± 0.2 | 16.2 ± 0.2 |
| 5 | EN300-25986_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5cccn5 | −20.3 ± 0.2 | 14.8 ± 0.1 |
| 6 | EN300-341337_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C56CCOC5CCOC6 | −20.1 ± 0.2 | 14.6 ± 0.1 |
| 7 | EN300-36851_2 |
|
CC1CC1C(=O)NCCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −19.3 ± 0.3 | 14.1 ± 0.2 |
| 8 | EN300-6745453_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5Cc6nncn6C5 | −18.9 ± 0.2 | 13.7 ± 0.1 |
| 9 | EN300-39305_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCS(=O)(=O)CC5 | −18.0 ± 0.2 | 13.1 ± 0.1 |
| 10 | EN300-27341_2 |
|
CS(=O)(=O)N1CCCC(C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −16.9 ± 0.3 | 12.3 ± 0.2 |
| 11 | EN300-702062_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCOC5CCOC5 | −16.7 ± 0.3 | 12.2 ± 0.2 |
| 12 | EN300-36096_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCNC5=O | −16.7 ± 0.2 | 12.1 ± 0.1 |
| 13 | EN300-103435_2 |
|
Cc1cc(cc(=O)n1CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O | −16.2 ± 0.2 | 11.8 ± 0.2 |
| 14 | EN300-124164_2 |
|
COCCN1CCN(CC1=O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −15.8 ± 0.4 | 11.5 ± 0.3 |
| 15 | EN300-197715_2 |
|
Cc1nnnn1CCCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −15.4 ± 0.2 | 11.2 ± 0.2 |
| 16 | EN300-39439_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCC(=O)N | −15.2 ± 0.3 | 11.1 ± 0.2 |
| 17 | VLA-UCB-50c39ae8-9 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 | −15.1 ± 0.5 | 11.0 ± 0.4 |
| 18 | EN300-205110_2 |
|
C[C@H](CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −15.0 ± 0.3 | 10.9 ± 0.2 |
| 19 | EN300-1704404_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CNC(=O)CC56CCC6 | −14.6 ± 0.2 | 10.6 ± 0.1 |
| 20 | EN300-719522_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@@H]5CCOC6 | −14.6 ± 0.2 | 10.6 ± 0.1 |
| 21 | EN300-7351945_1 |
|
CC1(CC(CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C | −14.6 ± 0.2 | 10.6 ± 0.2 |
| 22 | EN300-116249_2 |
|
CC(CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(CN(C)C)O | −14.2 ± 0.7 | 10.3 ± 0.5 |
| 23 | EN300-248982_1 |
|
Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N | −14.2 ± 0.2 | 10.3 ± 0.2 |
| 24 | EN300-305984_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnn6 | −14.2 ± 0.2 | 10.3 ± 0.2 |
| 25 | EN300-135238_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5[nH]cc6 | −14.1 ± 0.2 | 10.3 ± 0.1 |
| 26 | EN300-7437779_1 |
|
Cn1c(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −14.1 ± 0.2 | 10.3 ± 0.1 |
| 27 | EN300-42819_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(=O)NC5 | −14.1 ± 0.2 | 10.2 ± 0.2 |
| 28 | EN300-202106_1 |
|
Cn1c2c(c(ccn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 | −13.9 ± 0.2 | 10.1 ± 0.2 |
| 29 | EN300-222357_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5c[nH]nn5 | −13.8 ± 0.2 | 10.1 ± 0.2 |
| 30 | EN300-114526_1 |
|
Cc1c(c(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O | −13.7 ± 0.2 | 10.0 ± 0.2 |
| 31 | EN300-1600312_1 |
|
Cc1cc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.7 ± 0.2 | 9.9 ± 0.1 |
| 32 | EN300-301416_3 |
|
CS(=O)(=O)N1CCC(CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.6 ± 0.3 | 9.9 ± 0.2 |
| 33 | EN300-122656_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCSC5)O | −13.6 ± 0.5 | 9.9 ± 0.3 |
| 34 | EN300-1251424_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn(n5)CC#N | −13.6 ± 0.3 | 9.9 ± 0.2 |
| 35 | EN300-110423_1 |
|
Cc1c(c(=O)[nH]o1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.6 ± 0.3 | 9.9 ± 0.2 |
| 36 | EN300-254908_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)n6cnnn6 | −13.5 ± 0.3 | 9.8 ± 0.2 |
| 37 | EN300-7549839_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5n6cnnn6 | −13.5 ± 0.2 | 9.8 ± 0.2 |
| 38 | EN300-297561_3 |
|
CC(C)C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 | −13.4 ± 0.3 | 9.8 ± 0.2 |
| 39 | EN300-263085_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cnnn6 | −13.4 ± 0.3 | 9.8 ± 0.2 |
| 40 | EN300-36731_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)n6cnnn6 | −13.4 ± 0.2 | 9.7 ± 0.2 |
| 41 | EN300-1709101_1 |
|
Cc1nc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 42 | EN300-1726153_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnc6 | −13.3 ± 0.3 | 9.7 ± 0.2 |
| 43 | EN300-322400_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 44 | EN300-365398_3 |
|
Cn1c(nnn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.3 ± 0.3 | 9.7 ± 0.2 |
| 45 | EN300-702756_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CS(=O)(=O)CC(=O)N5 | −13.3 ± 0.3 | 9.7 ± 0.2 |
| 46 | EN300-3031933_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC6(O5)CCOC6 | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 47 | EN300-10334_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCC(=O)N5CCS6 | −13.3 ± 0.3 | 9.7 ± 0.2 |
| 48 | EN300-243465_1 |
|
Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 49 | EN300-19900_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnccn5 | −13.3 ± 0.2 | 9.7 ± 0.1 |
| 50 | EN300-378044_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC=CCO5 | −13.3 ± 0.2 | 9.7 ± 0.2 |
| 51 | EN300-106352_2 |
|
CN(C)c1c(c(=O)[nH]cn1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 52 | EN300-219496_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCCN(C5)S(=O)(=O)N | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 53 | EN300-297872_1 |
|
COCCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 54 | EN300-6494693_1 |
|
CCn1c(ncn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.2 ± 0.2 | 9.6 ± 0.2 |
| 55 | EN300-157541_2 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)CC5CO | −13.2 ± 0.4 | 9.6 ± 0.3 |
| 56 | EN300-14752_1 |
|
CC(=O)N1CCCC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 57 | EN300-147499_1 |
|
Cc1cc(c(=O)[nH]n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 58 | EN300-6744029_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccsc5n6cnnn6 | −13.2 ± 0.3 | 9.6 ± 0.2 |
| 59 | EN300-748981_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCn6c5nnc6 | −13.1 ± 0.2 | 9.6 ± 0.2 |
| 60 | EN300-102071_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)C(=O)N | −13.1 ± 0.3 | 9.6 ± 0.2 |
| 61 | EN300-2007648_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)CO6 | −13.1 ± 0.2 | 9.6 ± 0.2 |
| 62 | EN300-186536_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)n6cnnn6 | −13.1 ± 0.3 | 9.6 ± 0.2 |
| 63 | EN300-318284_1 |
|
CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C | −13.1 ± 0.2 | 9.6 ± 0.2 |
| 64 | EN300-09334_1 |
|
CCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.1 ± 0.3 | 9.6 ± 0.2 |
| 65 | EN300-6739934_1 |
|
Cc1cc(nn1CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.1 ± 0.2 | 9.5 ± 0.2 |
| 66 | EN300-378373_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CC5 | −13.1 ± 0.2 | 9.5 ± 0.2 |
| 67 | EN300-99899_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5cccnn5 | −13.1 ± 0.3 | 9.5 ± 0.2 |
| 68 | EN300-7432302_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CC[C@H](C5)[C@@H]([C@@H]6O)O | −13.1 ± 0.3 | 9.5 ± 0.2 |
| 69 | EN300-86878_1 |
|
C#CCSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −13.0 ± 0.2 | 9.5 ± 0.1 |
| 70 | EN300-170985_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCCO5 | −13.0 ± 0.2 | 9.4 ± 0.2 |
| 71 | EN300-74089_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)C#N | −13.0 ± 0.3 | 9.4 ± 0.2 |
| 72 | EN300-100689_1 |
|
CC(=O)N1CCOC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −13.0 ± 0.4 | 9.4 ± 0.3 |
| 73 | EN300-42243_1 |
|
CC(C)CS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −13.0 ± 0.3 | 9.4 ± 0.2 |
| 74 | EN300-2010167_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5nnc6 | −12.9 ± 0.2 | 9.4 ± 0.2 |
| 75 | EN300-6731334_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCN(CC5)S(=O)(=O)C6 | −12.9 ± 0.4 | 9.4 ± 0.3 |
| 76 | EN300-189901_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5[nH]c(=O)[nH]6 | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 77 | DAR-DIA-5ff57136-11 |
|
C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 78 | EN300-77520_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOCC5 | −12.9 ± 0.2 | 9.4 ± 0.2 |
| 79 | EN300-197715_3 |
|
Cc1nnnn1CCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 80 | EN300-299215_1 |
|
C[C@H]1[C@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 81 | EN300-31998_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]nn5 | −12.9 ± 0.2 | 9.4 ± 0.1 |
| 82 | EN300-176023_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6n(nn5)CCNC6=O | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 83 | EN300-140837_1 |
|
Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N | −12.9 ± 0.3 | 9.4 ± 0.2 |
| 84 | EN300-6738732_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56COC[C@H]5C6(F)F | −12.9 ± 0.2 | 9.4 ± 0.2 |
| 85 | EN300-322100_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6 | −12.9 ± 0.2 | 9.4 ± 0.2 |
| 86 | DAR-DIA-5ff57136-16 |
|
CC(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl | −12.9 ± 0.2 | 9.4 ± 0.1 |
| 87 | EN300-191904_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cnnn5 | −12.9 ± 0.2 | 9.4 ± 0.2 |
| 88 | EN300-6479181_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC6N5C(=O)CC6 | −12.8 ± 0.3 | 9.4 ± 0.2 |
| 89 | EN300-65839_3 |
|
CCC(C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 | −12.8 ± 0.3 | 9.4 ± 0.2 |
| 90 | EN300-250593_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5CC(=O)N5 | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 91 | EN300-746830_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6CCOC[C@H]6CO5 | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 92 | EN300-261859_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]sn5 | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 93 | EN300-761220_1 |
|
CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.8 ± 0.3 | 9.3 ± 0.2 |
| 94 | EN300-244909_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO | −12.8 ± 0.3 | 9.3 ± 0.2 |
| 95 | EN300-66976_1 |
|
Cn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.8 ± 0.2 | 9.3 ± 0.1 |
| 96 | EN300-1719160_1 |
|
CCn1cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 97 | EN300-1703711_1 |
|
COc1c(cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F | −12.8 ± 0.3 | 9.3 ± 0.2 |
| 98 | EN300-315792_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 99 | EN300-200426_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCNC6=O | −12.8 ± 0.2 | 9.3 ± 0.2 |
| 100 | EN300-261596_1 |
|
C=CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 | −12.8 ± 0.3 | 9.3 ± 0.2 |