Molecule Details
| InChIKey | DEQANNDTNATYII-LIXSYSMXSA-N |
|---|---|
| Compound Name | 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide |
| Canonical SMILES | CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.67 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 9.2 | Ki | BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.3 | Ki | BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 8.2 | Ki | BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 7.9 | Ki | BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |