Molecule Details
| InChIKey | GWJANPFAIFAIBQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-7-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| Canonical SMILES | NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccccc2)CSSCC(C(=O)NCc2cccc3ccccc23)NC(=O)C(CO)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 8.4 | Ki | BindingDB |
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 8.1 | Ki | BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 7.3 | Ki | BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |