Molecule Details
| InChIKey | IEJRYJFWTCKXSD-CLJLJLNGSA-N |
|---|---|
| Compound Name | 3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-ureido}-benzoic acid methyl ester |
| Canonical SMILES | COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.85 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile