Molecule Details
| InChIKey | JVAGZHNHHXCZDH-XUTHUYCTSA-N |
|---|---|
| Compound Name | (3R)-2-[(2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)propanoyl]-N-[2-[[(2S)-3-(4-chlorophenyl)-1-[4-(3,4-dichloro-N-propanoylanilino)piperidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide |
| Canonical SMILES | CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2cc(C)c(O)c(C)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile