Molecule Details
| InChIKey | JAGKLXJMJDZQDF-VBFIDOBASA-N |
|---|---|
| Compound Name | 1,6-bis((R)-4-(((2R,5R)-1-(2-(6-(4-fluorobenzyl)-3,3-dimethyl-5-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl)-5-methylpiperazin-2-yl)methyl)-3-methylpiperazin-1-yl)hexane-1,6-dione |
| Canonical SMILES | Cc1ccc(Cc2cc3c([nH]c2=O)CCN3C(=O)CN2CCNC[C@@H]2CN2CCN(C(=O)CCCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CCc5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.5 |
| Source | BindingDB |
2D Structure
Activity Profile