Drug Information

Drug General Information
Drug ID
D0VD7R
Former ID
DNC006278
Drug Name
C[Nle-Pro-D-Phe-Arg-Trp-Glu]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528082]
Structure
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2D MOL

3D MOL
Formula
C42H57N11O7
Canonical SMILES
CCCCC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCC(=<br />O)N1)C(=O)N)CC3=CNC4=CC=CC=C43)CCCN=C(N)N)CC5=CC=CC=C5
InChI
1S/C42H57N11O7/c1-2-3-14-31-41(60)53-21-10-17-34(53)40(59)52-32(22-25-11-5-4-6-12-25)38(57)50-30(16-9-20-46-42(44)45)37(56)51-33(23-26-24-47-28-15-8-7-13-27(26)28)39(58)49-29(36(43)55)18-19-35(54)48-31/h4-8,11-13,15,24,29-34,47H,2-3,9-10,14,16-23H2,1H3,(H2,43,55)(H,48,54)(H,49,58)(H,50,57)(H,51,56)(H,52,59)(H4,44,45,46)/t29-,30-,31-,32+,33-,34+/m0/s1
InChIKey
AKNCBPIMUGVGES-IPLXUGDNSA-N
PubChem Compound ID
44408408
Target and Pathway
Target(s) Melanocortin-3 receptor Target Info Inhibitor [528082]
Melanocortin receptor Target Info Inhibitor [528082]
Melanocortin-4 receptor Target Info Inhibitor [528082]
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 528082J Med Chem. 2006 Mar 23;49(6):1946-52.Development of cyclic gamma-MSH analogues with selective hMC3R agonist and hMC3R/hMC5R antagonist activities.
Ref 528082J Med Chem. 2006 Mar 23;49(6):1946-52.Development of cyclic gamma-MSH analogues with selective hMC3R agonist and hMC3R/hMC5R antagonist activities.

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