Molecule Details
| InChIKey | RETSKSZXHIYFRU-VXTWSFECSA-N |
|---|---|
| Compound Name | 2,2''-((3R,3''R,6R,6''R)-(((2R,2''R)-isophthaloylbis(2-methylpiperazine-4,1-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(1-(6-(4-fluorobenzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)ethan-1-one) |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CCc3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3cccc(C(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7)cc65)[C@H](C)C4)c3)C[C@H]2C)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | BindingDB |
2D Structure
Activity Profile