Molecule Details
| InChIKey | PFQRIFACFSEBLD-IJROBSLXSA-N |
|---|---|
| Compound Name | (2S,5R,8S,11S,14S,19S,Z)-5-((1H-indol-2-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-8-(4-aminobutyl)-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-11-((R)-1-hydroxyethyl)-2-(naphthalen-1-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxamide |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile