Molecule Details
| InChIKey | ZPANOUCVWZTSLE-VIONFHLBSA-N |
|---|---|
| Compound Name | (3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide |
| Canonical SMILES | CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 8.1 | IC50 | ChEMBL;BindingDB |