Drug General Information
Drug ID
D04YZZ
Former ID
DNC008093
Drug Name
C[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529226]
Structure
Download
2D MOL

3D MOL

Formula
C52H63N11O7
Canonical SMILES
C1CCNCCCC(=O)C2=CC=CC=C2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=<br />O)NC(C(=O)NC(C1)C(=O)N)CC4=CNC5=CC=CC=C54)CCCN=C(N)N)CC<br />6=CC7=CC=CC=C7C=C6
InChI
1S/C52H63N11O7/c53-46(65)40-18-7-8-24-56-25-10-21-45(64)37-15-3-4-16-38(37)51(70)63-27-11-20-44(63)50(69)62-42(29-32-22-23-33-12-1-2-13-34(33)28-32)48(67)60-41(19-9-26-57-52(54)55)47(66)61-43(49(68)59-40)30-35-31-58-39-17-6-5-14-36(35)39/h1-6,12-17,22-23,28,31,40-44,56,58H,7-11,18-21,24-27,29-30H2,(H2,53,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H4,54,55,57)/t40-,41-,42+,43-,44-/m0/s1
InChIKey
YUUZCRILYWDWPO-PURVKFDZSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [529226]
Melanocortin-3 receptor Target Info Inhibitor [529226]
Melanocortin 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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