Drug Information

Drug General Information
Drug ID
D0ID5M
Former ID
DNC005520
Drug Name
GPYRMEHFRWGSPPKD-NH2
Indication Discovery agent Investigative [527529]
Structure
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2D MOL

3D MOL
Formula
C89H127N27O22S
Canonical SMILES
CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC2=C<br />C=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C<br />(=O)NCC(=O)NC(CO)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CCCCN)<br />C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC7=C<br />C=C(C=C7)O)NC(=O)C8CCCN8C(=O)CN
InChI
1S/C89H127N27O22S/c1-139-37-30-60(107-76(127)57(19-9-32-98-88(93)94)104-82(133)63(39-50-24-26-53(118)27-25-50)113-84(135)67-21-11-34-114(67)71(120)43-91)80(131)106-59(28-29-72(121)122)79(130)112-65(41-52-45-97-48-102-52)83(134)110-62(38-49-14-3-2-4-15-49)81(132)105-58(20-10-33-99-89(95)96)78(129)111-64(40-51-44-100-55-17-6-5-16-54(51)55)75(126)101-46-70(119)103-66(47-117)86(137)116-36-13-23-69(116)87(138)115-35-12-22-68(115)85(136)108-56(18-7-8-31-90)77(128)109-61(74(92)125)42-73(123)124/h2-6,14-17,24-27,44-45,48,56-69,100,117-118H,7-13,18-23,28-43,46-47,90-91H2,1H3,(H2,92,125)(H,97,102)(H,101,126)(H,103,119)(H,104,133)(H,105,132)(H,106,131)(H,107,127)(H,108,136)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,135)(H,121,122)(H,123,124)(H4,93,94,98)(H4,95,96,99)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKey
XQMPAWYRHAOJTE-JLQTWWGSSA-N
PubChem Compound ID
44400285
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [527529]
Melanocyte stimulating hormone receptor Target Info Inhibitor [527529]
Melanocortin receptor Target Info Inhibitor [527529]
Melanocortin-3 receptor Target Info Inhibitor [527529]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Melanogenesishsa04080: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 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.

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