Drug Information

Drug General Information
Drug ID
D0A8ME
Former ID
DNC005540
Drug Name
Ac-[CEHdFRWC]-NH2
Indication Discovery agent Investigative [527529]
Structure
Download
2D MOL

3D MOL
Formula
C45H58N14O10S2
Canonical SMILES
CC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(<br />NC1=O)CCC(=O)O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=C<br />NC5=CC=CC=C54)C(=O)N
InChI
1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
InChIKey
DCRRHKOGXQUJTJ-VCFUPWAGSA-N
PubChem Compound ID
44400398
Target and Pathway
Target(s) Melanocortin-3 receptor Target Info Inhibitor [527529]
Melanocortin-4 receptor Target Info Inhibitor [527529]
Melanocyte stimulating hormone receptor Target Info Inhibitor [527529]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Melanogenesis
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 527529J Med Chem. 2005 May 5;48(9):3095-8.Discovery of a beta-MSH-derived MC-4R selective agonist.
Ref 527529J Med Chem. 2005 May 5;48(9):3095-8.Discovery of a beta-MSH-derived MC-4R selective agonist.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.