COVID Moonshot Sprint 5 to prioritize benzopyran-isoquinoline series based on x12073 (MAT-POS-8a69d52e-7) to optimize substituents in the P1' pocket with Mpro monomer and neutral Cys145:His41
| Rank | Compound | SMILES | ΔG / kcal mol-1 | pIC50 | |
|---|---|---|---|---|---|
| 1 | EN300-42819_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(=O)NC5 | −12.4 ± 0.2 | 9.0 ± 0.1 |
| 2 | EN300-208959_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CNC(=O)CC5C(F)(F)F | −11.9 ± 0.2 | 8.7 ± 0.1 |
| 3 | EN300-211158_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(c5)CO)CO | −11.7 ± 0.3 | 8.6 ± 0.2 |
| 4 | EN300-181688_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCO6 | −11.6 ± 0.2 | 8.4 ± 0.1 |
| 5 | EN300-135238_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5[nH]cc6 | −11.4 ± 0.2 | 8.3 ± 0.2 |
| 6 | EN300-373791_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnn5CC#N | −11.2 ± 0.2 | 8.1 ± 0.2 |
| 7 | EN300-124555_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nc5)n[nH]n6 | −11.1 ± 0.2 | 8.1 ± 0.1 |
| 8 | EN300-2010167_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5nnc6 | −11.0 ± 0.2 | 8.0 ± 0.2 |
| 9 | EN300-1251424_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn(n5)CC#N | −11.0 ± 0.2 | 8.0 ± 0.1 |
| 10 | EN300-186536_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)n6cnnn6 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 11 | VLA-UCB-50c39ae8-9 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 | −11.0 ± 0.3 | 8.0 ± 0.2 |
| 12 | EN300-305984_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnn6 | −10.9 ± 0.2 | 8.0 ± 0.2 |
| 13 | EN300-14405_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6n(c5=O)CCS6 | −10.9 ± 0.2 | 7.9 ± 0.2 |
| 14 | EN300-305567_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(c5)nnn6 | −10.8 ± 0.2 | 7.9 ± 0.2 |
| 15 | EN300-208236_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCc6c5nn[nH]6 | −10.8 ± 0.2 | 7.9 ± 0.2 |
| 16 | EN300-6732590_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncnn5C6CCOCC6 | −10.8 ± 0.2 | 7.8 ± 0.2 |
| 17 | EN300-6737762_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCCNC5=O | −10.7 ± 0.2 | 7.8 ± 0.1 |
| 18 | VLA-UCB-34f3ed0c-21 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCC5CC(=O)NC5 | −10.7 ± 0.2 | 7.8 ± 0.2 |
| 19 | EN300-2007648_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)CO6 | −10.6 ± 0.2 | 7.7 ± 0.2 |
| 20 | EN300-378373_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CC5 | −10.6 ± 0.2 | 7.7 ± 0.1 |
| 21 | EN300-1074262_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5cnn6 | −10.6 ± 0.2 | 7.7 ± 0.1 |
| 22 | EN300-6744029_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccsc5n6cnnn6 | −10.6 ± 0.2 | 7.7 ± 0.2 |
| 23 | EN300-1073320_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5(CCC5)O)O | −10.5 ± 0.3 | 7.7 ± 0.2 |
| 24 | EN300-185729_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCc6c(nn[nH]6)C5 | −10.5 ± 0.2 | 7.7 ± 0.1 |
| 25 | EN300-253571_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCc6nnnn6CC5 | −10.5 ± 0.2 | 7.6 ± 0.1 |
| 26 | EN300-6526669_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5C(=O)NCC6 | −10.4 ± 0.2 | 7.6 ± 0.1 |
| 27 | EN300-10334_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCC(=O)N5CCS6 | −10.4 ± 0.3 | 7.6 ± 0.2 |
| 28 | EN300-261859_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]sn5 | −10.4 ± 0.2 | 7.6 ± 0.1 |
| 29 | EN300-225012_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6nccn6ccn5 | −10.4 ± 0.1 | 7.59 ± 0.10 |
| 30 | EN300-315238_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](O5)C(=O)N | −10.4 ± 0.2 | 7.6 ± 0.2 |
| 31 | EN300-10895_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCC#N | −10.4 ± 0.2 | 7.6 ± 0.1 |
| 32 | EN300-1627945_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCCOC5 | −10.4 ± 0.2 | 7.6 ± 0.1 |
| 33 | EN300-373552_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cncc(n5)F | −10.4 ± 0.2 | 7.6 ± 0.1 |
| 34 | EN300-09239_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)n6cnnn6 | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 35 | EN300-249764_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5CCC5)O | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 36 | EN300-36731_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)n6cnnn6 | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 37 | EN300-315792_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 38 | EN300-14767_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCN(C5)C(=O)N | −10.3 ± 0.2 | 7.5 ± 0.2 |
| 39 | EN300-300519_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5csnn5 | −10.3 ± 0.2 | 7.5 ± 0.1 |
| 40 | EN300-378044_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC=CCO5 | −10.2 ± 0.2 | 7.5 ± 0.1 |
| 41 | EN300-101637_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnco5 | −10.2 ± 0.2 | 7.5 ± 0.1 |
| 42 | EN300-1653482_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCn6c(nnn6)C5 | −10.2 ± 0.2 | 7.5 ± 0.2 |
| 43 | EN300-332002_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCc6n5c(=O)ccc6 | −10.2 ± 0.3 | 7.4 ± 0.2 |
| 44 | EN300-748981_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCn6c5nnc6 | −10.2 ± 0.2 | 7.4 ± 0.2 |
| 45 | EN300-42270_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnsn5 | −10.2 ± 0.2 | 7.4 ± 0.1 |
| 46 | EN300-1726153_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnc6 | −10.2 ± 0.2 | 7.4 ± 0.1 |
| 47 | EN300-36158_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5COCCO5 | −10.2 ± 0.2 | 7.4 ± 0.1 |
| 48 | EN300-323327_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(n5)ccn6 | −10.2 ± 0.2 | 7.4 ± 0.1 |
| 49 | EN300-6763072_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C56CC(C5)C6 | −10.1 ± 0.2 | 7.4 ± 0.2 |
| 50 | EN300-100467_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnn5 | −10.1 ± 0.2 | 7.4 ± 0.2 |
| 51 | EN300-6479181_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC6N5C(=O)CC6 | −10.1 ± 0.3 | 7.4 ± 0.2 |
| 52 | EN300-7435929_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc6c(n5)CCOC6 | −10.1 ± 0.2 | 7.4 ± 0.2 |
| 53 | EN300-99391_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOC5 | −10.1 ± 0.2 | 7.3 ± 0.1 |
| 54 | EN300-129441_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5ncn6 | −10.1 ± 0.2 | 7.3 ± 0.2 |
| 55 | VLA-UCB-34f3ed0c-9 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 | −10.1 ± 0.2 | 7.3 ± 0.1 |
| 56 | EN300-21200_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(nccn5)C(=O)N | −10.1 ± 0.2 | 7.3 ± 0.2 |
| 57 | EN300-188341_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cn5)O | −10.1 ± 0.2 | 7.3 ± 0.2 |
| 58 | EN300-80230_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncccn5 | −10.0 ± 0.1 | 7.31 ± 0.09 |
| 59 | EN300-77520_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOCC5 | −10.0 ± 0.2 | 7.3 ± 0.1 |
| 60 | EN300-366857_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5ncn6 | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 61 | EN300-6473108_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6cccnn6n5 | −10.0 ± 0.2 | 7.3 ± 0.1 |
| 62 | EN300-243828_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnncc5O | −10.0 ± 0.3 | 7.3 ± 0.2 |
| 63 | EN300-1589101_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c[nH]nc5 | −10.0 ± 0.3 | 7.3 ± 0.2 |
| 64 | EN300-30687_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(c5)OCC(=O)N | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 65 | EN300-25960_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCC5)O | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 66 | EN300-658559_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6ccnn6 | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 67 | EN300-1644723_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C6C5COCC6 | −10.0 ± 0.1 | 7.28 ± 0.08 |
| 68 | EN300-90142_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCC(C5)C(=O)N | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 69 | EN300-6745453_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5Cc6nncn6C5 | −10.0 ± 0.2 | 7.3 ± 0.2 |
| 70 | EN300-117222_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncon5 | −9.9 ± 0.2 | 7.2 ± 0.1 |
| 71 | EN300-19900_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnccn5 | −9.9 ± 0.2 | 7.2 ± 0.1 |
| 72 | EN300-143449_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN(=O)=O | −9.8 ± 0.2 | 7.2 ± 0.2 |
| 73 | EN300-332606_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)O5 | −9.8 ± 0.2 | 7.2 ± 0.2 |
| 74 | EN300-78368_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCCC5)NC(=O)N | −9.8 ± 0.4 | 7.2 ± 0.3 |
| 75 | EN300-120586_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F | −9.8 ± 0.2 | 7.2 ± 0.1 |
| 76 | EN300-244909_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO | −9.8 ± 0.3 | 7.2 ± 0.2 |
| 77 | EN300-222357_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5c[nH]nn5 | −9.8 ± 0.2 | 7.1 ± 0.2 |
| 78 | EN300-124301_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5ccnn5 | −9.8 ± 0.2 | 7.1 ± 0.2 |
| 79 | EN300-36111_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCCC5=O | −9.8 ± 0.2 | 7.1 ± 0.2 |
| 80 | EN300-220228_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6ccnn6c5O | −9.8 ± 0.2 | 7.1 ± 0.2 |
| 81 | EN300-301925_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCOC5)C#N | −9.8 ± 0.3 | 7.1 ± 0.2 |
| 82 | EN300-201551_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5COCCN5CC(F)(F)F | −9.8 ± 0.2 | 7.1 ± 0.1 |
| 83 | EN300-263085_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6cnnn6 | −9.8 ± 0.2 | 7.1 ± 0.2 |
| 84 | EN300-658865_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)CO | −9.8 ± 0.2 | 7.1 ± 0.1 |
| 85 | EN300-140582_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5COCCN5CC(F)F | −9.8 ± 0.2 | 7.1 ± 0.1 |
| 86 | EN300-6488240_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nncs5 | −9.8 ± 0.2 | 7.1 ± 0.1 |
| 87 | EN300-170985_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCCO5 | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 88 | EN300-260152_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnns5 | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 89 | EN300-250112_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5csc(n5)CO | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 90 | EN300-244278_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCOC6 | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 91 | EN300-111863_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C#N | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 92 | EN300-149296_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)F | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 93 | EN300-219496_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCN(C5)S(=O)(=O)N | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 94 | EN300-261210_3 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOC5)C#N | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 95 | EN300-1072972_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCOC5=O | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 96 | EN300-82616_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCNC5=O | −9.7 ± 0.2 | 7.1 ± 0.1 |
| 97 | EN300-256174_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 | −9.7 ± 0.3 | 7.1 ± 0.2 |
| 98 | EN300-7537194_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6cnnc6c5 | −9.7 ± 0.2 | 7.1 ± 0.2 |
| 99 | EN300-61140_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5nc(no5)c6[nH]cnn6 | −9.7 ± 0.3 | 7.1 ± 0.2 |
| 100 | EN300-24419_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)S(=O)(=O)N | −9.7 ± 0.3 | 7.1 ± 0.2 |