Drug General Information
Drug ID
D0R0BY
Former ID
DNC005537
Drug Name
Ac-YR[CEH(pCl-dF)RWC]-NH2
Indication Discovery agent Investigative [527529]
Structure
Download
2D MOL

3D MOL

Formula
C60H78ClN19O13S2
Canonical SMILES
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CSS<br />CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O<br />)O)CC3=CN=CN3)CC4=CC=C(C=C4)Cl)CCCN=C(N)N)CC5=CNC6=CC=C<br />C=C65)C(=O)N
InChI
1S/C60H78ClN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1
InChIKey
KIFNALNSUOJQPJ-XVRHLUALSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin receptor Target Info Inhibitor [527529]
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.

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