Molecule Details
| InChIKey | BVCQRIMNJALALQ-CNNODRBYSA-N |
|---|---|
| Compound Name | (S)-4-Carbamoyl-2-({(S)-2-[(S)-2-(2-3H-imidazol-4-yl-acetylamino)-3,3-dimethyl-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-butyric acid |
| Canonical SMILES | CC(C)(C)[C@H](NC(=O)Cc1c[nH]cn1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile