Molecule Details
| InChIKey | CRBKELXXBMEXSB-SODMQAKCSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13S,16R,19S,22S,25S,28R)-16-((1H-indol-3-yl)methyl)-28-amino-25-(4-aminobutyl)-7,19,22-tribenzyl-10-((R)-1-hydroxyethyl)-13-(4-((isopropylamino)methyl)benzyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosane-4-carboxylic acid |
| Canonical SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile