Molecule Details
| InChIKey | QIUSSKZXPHOZHC-ZBCIVESYSA-N |
|---|---|
| Compound Name | 1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2R,2''R)-(2,2''-(1,4-phenylene)bis(acetyl)) 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]1CN(CC(=O)C2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)Cc3ccc(CC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)C5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.3 |
| Source | BindingDB |
2D Structure
Activity Profile