Drug General Information
Drug ID
D08DND
Former ID
DNC008092
Drug Name
C[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529226]
Structure
Download
2D MOL

3D MOL

Formula
C42H59N11O7
Canonical SMILES
C1CCC(=O)CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(<br />C1)N)CC2=CC=CC=C2)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)C(=O)N
InChI
1S/C42H59N11O7/c43-30-15-6-4-13-28(54)19-20-36(55)47-21-9-8-17-32(37(44)56)50-41(60)35(24-27-25-49-31-16-7-5-14-29(27)31)53-39(58)33(18-10-22-48-42(45)46)51-40(59)34(52-38(30)57)23-26-11-2-1-3-12-26/h1-3,5,7,11-12,14,16,25,30,32-35,49H,4,6,8-10,13,15,17-24,43H2,(H2,44,56)(H,47,55)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H4,45,46,48)/t30-,32-,33-,34+,35-/m0/s1
InChIKey
HWDXGLQUFJWIAC-DIWSUELLSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin-3 receptor Target Info Inhibitor [529226]
Melanocortin receptor Target Info Inhibitor [529226]
Melanocortin-4 receptor Target Info Inhibitor [529226]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (s) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 529226J Med Chem. 2008 Jan 24;51(2):187-95. Epub 2007 Dec 19.Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.
Ref 529226J Med Chem. 2008 Jan 24;51(2):187-95. Epub 2007 Dec 19.Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.

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