Molecule Details
| InChIKey | TXERAVVSCVGCRI-QXOCEMHNSA-N |
|---|---|
| Compound Name | 1-[6-[(4-bromophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-[[(2S)-2-[3-[[(2S)-4-[[(2R,5R)-1-[2-[6-[(4-bromophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxo-ethyl]-5-methyl-piperazin-2-yl]methyl]morpholin-2-yl]methoxy]phenoxy] methyl]morpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]ethanone |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(Br)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(Br)cc7)cc65)CCO4)c3)C2)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.55 |
| Source | BindingDB |
2D Structure
Activity Profile