Molecule Details
| InChIKey | IPRQDTJTDYDPBX-PYDLNCBZSA-N |
|---|---|
| Compound Name | (S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopropyl-9-mercapto-nona-3,6-dienoylamino)-4-methylsulfanyl-butyric acid |
| Canonical SMILES | CSCC[C@H](NC(=O)[C@H](/C=C\[C@@H](/C=C/[C@@H](N)CS)C(C)C)Cc1ccccc1)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.96 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile