Molecule Details
| InChIKey | ICRWYWRNSMBPNB-XZIYXFDCSA-N |
|---|---|
| Compound Name | (4S,7R,10S,13R,16S,20R,23R,26S)-13-(4-aminobutyl)-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7,23-dibenzyl-20-hydroxy-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,22,25-heptaoxo-1,2-dithia-5,8,11,14,17,19,21,24-octazacycloheptacosane-4-carboxylic acid |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL |
2D Structure
Activity Profile