Molecule Details
| InChIKey | BCXQZFAVVLDMBN-ZLOGYFEASA-N |
|---|---|
| Compound Name | 6-Amino-18-(4-aminobutyl)-9,24-dibenzyl-12-(4-hydroxybenzyl)-21-(1-hydroxyethyl)-15-[1-(2-naphthyl)ethyl]-7,10,13,16,19,22,25-heptaoxo-3,4-dithia-8,11,14,17,20,23,26-heptaazacyclohexacosane-1-carboxylic acid |
| Canonical SMILES | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)c2ccc3ccccc3c2)NC(=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)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.78 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 7.9 | IC50 | ChEMBL;BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL;BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |