Molecule Details
InChIKeyHDHDTKMUACZDAA-PHNIDTBTSA-N
Compound NameSetmelanotide
Canonical SMILESCC(=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 pChEMBL8.2
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11700
Drug NameSetmelanotide
CAS Number920014-72-8
Groups approved investigational
ATC Codes A08AA12
DescriptionSetmelanotide 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P32245 MC4R Homo sapiens Human PF00001 8.4 Ki ChEMBL;BindingDB
Q01726 MC1R Homo sapiens Human PF00001 8.3 Ki ChEMBL;BindingDB
P41968 MC3R Homo sapiens Human PF00001 7.9 Ki ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P32245 MC4R Melanocortin receptor 4 agonist targets