Molecule Details
| InChIKey | XMQSVPKHHVWBGS-SXZWXXKZSA-N |
|---|---|
| Compound Name | Ac-D-Nle-Asp(1)-N(Me)His-D-2Nal-N(Me)Arg-Trp-N(Me)Lys(1)-NH2 |
| Canonical SMILES | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 7.8 | IC50 | ChEMBL;BindingDB |