Molecule Details
| InChIKey | UZMIPDVOAWRTQZ-BNYMFXLVSA-N |
|---|---|
| Compound Name | 6-[(4-fluorophenyl)methyl]-1-[2-[(2R,5R)-2-[[(2R)-4-[2-[1-[4-[(3R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-methylpiperazin-1-yl]-4-oxobutyl]triazol-4-yl]ethyl]-2-methylpiperazin-1-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-3,3-dimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(CCc3cn(CCCC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.45 |
| Source | BindingDB |
2D Structure
Activity Profile