Molecule Details
| InChIKey | BHIQIMLFSJYURU-BEGKBBJWSA-N |
|---|---|
| Compound Name | Ac-Nle4-cyclo(Asp5-Pro6-D-4,4''-Bip7-Pip8-Trp9-Lys10)-NH2 |
| Canonical SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.37 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 7.3 | IC50 | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 6.2 | IC50 | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 6.0 | IC50 | BindingDB |