Drug General Information
Drug ID
D0QW4A
Former ID
DNC008095
Drug Name
C[CO-o-C6H4-CO-Pro-D-Phe-Arg-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529226]
Structure
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2D MOL

3D MOL

Formula
C45H55N11O7
Canonical SMILES
C1CCNC(=O)C2=CC=CC=C2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N<br />C(C(=O)NC(C1)C(=O)N)CC4=CNC5=CC=CC=C54)CCCN=C(N)N)CC6=C<br />C=CC=C6
InChI
1S/C45H55N11O7/c46-38(57)33-18-8-9-21-49-39(58)30-15-4-5-16-31(30)44(63)56-23-11-20-37(56)43(62)55-35(24-27-12-2-1-3-13-27)41(60)53-34(19-10-22-50-45(47)48)40(59)54-36(42(61)52-33)25-28-26-51-32-17-7-6-14-29(28)32/h1-7,12-17,26,33-37,51H,8-11,18-25H2,(H2,46,57)(H,49,58)(H,52,61)(H,53,60)(H,54,59)(H,55,62)(H4,47,48,50)/t33-,34-,35+,36-,37-/m0/s1
InChIKey
CLUDKTYPSAGGGT-GJOOVXBSSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [529226]
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 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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