Molecule Details
| InChIKey | LMXZFNUEMHAYLD-YSTOQKLRSA-N |
|---|---|
| Compound Name | (R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3,3-dimethyl-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](NC[C@@H](N)CS)C(C)(C)C)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.93 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile