Molecule Details
| InChIKey | YCEIOOXEUSAMIZ-RUJSPISNSA-N |
|---|---|
| Compound Name | (S)-3-((3S,6S,9S,12S,18R,26S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-2-yl)methyl)-18-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-9-(4-chlorobenzyl)-6-(3-guanidinopropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,21-heptaazacyclohexacosane-26-carboxamido)-4-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid |
| Canonical SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile