Molecule Details
| InChIKey | APHPBWUTFHDTLW-UQNCHQIHSA-N |
|---|---|
| Compound Name | cyclo[2Nal-Ala-Cys(1)-Thr-His-D-Phe-N(Me)Arg-Trp-Pro-Ile-Cys(1)-His-D-Phe-Arg] |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL;BindingDB |