Molecule Details
| InChIKey | UAHFGYDRQSXQEB-LEBBXHLNSA-N |
|---|---|
| Compound Name | Scenesse |
| Canonical SMILES | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)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](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04931 |
|---|---|
| Drug Name | Afamelanotide |
| CAS Number | 75921-69-6 |
| Groups | approved investigational |
| ATC Codes | D02BB02 |
| Description | Afamelanotide is a first-in-class, synthetic, 13-amino acid peptide analogue of the endogenous alpha melanocyte-stimulating hormone (α-MSH).[L9086] It differs structurally from its endogenous counterpart by only two amino acids - these structural differences improve biological efficacy by imparting ... |
Categories: Amino Acids, Peptides, and Proteins Compounds used in a research, industrial, or household setting Dermatologicals Hormones, Hormone Substitutes, and Hormone Antagonists Indicators and Reagents Laboratory Chemicals Melanocortin 1 Receptor (MC1-R) Agonists Melanocortin Receptor Agonists Melanocyte-Stimulating Hormones Peptides Protective Agents Protectives Against UV-Radiation Protectives Against UV-Radiation for Systemic Use Proteins
Cross-references: BindingDB: 82411 ChEBI: 136034 CHEMBL441738 ChemSpider: 17310725 PubChem:16197727 PubChem:175426907 RxCUI: 2262250 Wikipedia: Melanotan
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01726 | MC1R | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P32245 | MC4R | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| P33032 | MC5R | Homo sapiens | Human | PF00001 | 9.1 | IC50 | ChEMBL;BindingDB |
| P41968 | MC3R | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL;BindingDB |
| P00813 | ADA | Homo sapiens | Human | PF00962 | 7.8 | Ki | ChEMBL |