Molecule Details
| InChIKey | RXNSVMOCVKTVBN-QNWVGRARSA-N |
|---|---|
| Compound Name | (S)-4-Carbamoyl-2-[((S)-2-{(S)-2-[3-(3H-imidazol-4-yl)-propylamino]-3,3-dimethyl-butyryl}-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl)-amino]-butyric acid |
| Canonical SMILES | CC(C)(C)[C@H](NCCCc1c[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) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile