Molecule Details
| InChIKey | SQPLVZLTUHGUDH-SCEGLJQBSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13S,16R,19S,22S,25S)-25-amino-13-(4-aminobutyl)-18-[benzoyl(methyl)carbamoyl]-7,22-dibenzyl-19-hydroxy-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,21,24-hexaoxo-1,2-dithia-5,8,11,14,17,18,20,23-octazacyclohexacosane-4-carboxylic acid |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NN(C(=O)N(C)C(=O)c2ccccc2)[C@@H](O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)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 | 6.61 |
| Source | ChEMBL |
2D Structure
Activity Profile