Molecule Details
| InChIKey | HDHDTKMUACZDAA-PHNIDTBTSA-N |
|---|---|
| Compound Name | Setmelanotide |
| Canonical SMILES | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11700 |
|---|---|
| Drug Name | Setmelanotide |
| CAS Number | 920014-72-8 |
| Groups | approved investigational |
| ATC Codes | A08AA12 |
| Description | Setmelanotide is the first available treatment for patients with pro-opiomelanocortin, proprotein subilisin/kexin type 1, or leptin deficiencies.[L24474] It is an agonist of the melanocortin 4 receptor.[A224449] Earlier attempts at agonizing MC4R (such as LY2112688) lead to successful weight loss, b... |
Categories: Alimentary Tract and Metabolism Amino Acids, Peptides, and Proteins Anti-Obesity Agents Antiobesity Preparations, Excl. Diet Products Centrally Acting Antiobesity Products Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hypothalamic Hormones Melanocortin 4 Receptor Agonist Melanocortin 4 Receptor Agonists Melanocortins Melanocyte-Stimulating Hormones Nerve Tissue Proteins Neuropeptides Peptide Hormones Peptides Pituitary Hormones Pituitary Hormones, Anterior Pro-Opiomelanocortin Protein Precursors Proteins Receptor, Melanocortin, Type 4, agonists
Cross-references: BindingDB: 50581319 CHEMBL3301624 ChemSpider: 10166169 Drugs Product Database (DPD): 23838 PubChem:11993702 PubChem:347828065 RxCUI: 2469247 Wikipedia: Setmelanotide
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P32245 | MC4R | Melanocortin receptor 4 | agonist | targets |