Molecule Details
| InChIKey | BCXQZFAVVLDMBN-WCZDJTHUSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13S,16S,19S,22S,25R)-25-amino-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)methyl]-16-[(1R)-1-naphthalen-2-ylethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid |
| Canonical SMILES | C[C@H](c1ccc2ccccc2c1)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL |