Molecule Details
| InChIKey | JFSBDKASCAKCDV-MUGJNUQGSA-N |
|---|---|
| Compound Name | (S)-2-[(2-{(S)-2-[((R)-2-Amino-3-mercapto-propionyl)-methyl-amino]-3-methyl-butyryl}-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl)-amino]-4-methylsulfanyl-butyric acid |
| Canonical SMILES | CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](N)CS)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.3 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile