Drug Information

Drug General Information
Drug ID
D09HHW
Former ID
DNC005429
Drug Name
ML-253764
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527997]
Structure
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2D MOL

3D MOL
Formula
C18H18BrFN2O
Canonical SMILES
COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3
InChI
1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)
InChIKey
WCPPZGPJRHLSKP-UHFFFAOYSA-N
PubChem Compound ID
9842665
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [527997]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.

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