Molecule Details
| InChIKey | ZDVFQYHYQJMGGX-HSJYHVDLSA-N |
|---|---|
| Compound Name | 1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2R,2''R)-([1,1''-biphenyl]-4,4''-disulfonyl)bis(2-methylpiperazine-4,1-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(acetyl))bis(6-(4-fluorobenzyl)-3,3-dimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one) |
| Canonical SMILES | C[C@@H]1CC(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)C(CN2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)cc4)cc3)C[C@H]2C)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.5 |
| Source | BindingDB |
2D Structure
Activity Profile