Drug Information

Drug General Information
Drug ID
D0B8GR
Former ID
DNC006844
Drug Name
Ac-His-D-Phe-Arg-2-Nal-NHCH3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528247]
Structure
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2D MOL

3D MOL
Formula
C37H46N10O5
Canonical SMILES
CC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C<br />(N)N)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC
InChI
1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1
InChIKey
KXPKJVIQPPHENQ-IHZBLBIESA-N
PubChem Compound ID
44413876
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [528247]
Melanocyte stimulating hormone receptor Target Info Inhibitor [528247]
Melanocortin-3 receptor Target Info Inhibitor [528247]
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 528247Bioorg Med Chem Lett. 2006 Sep 1;16(17):4668-73.Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists.
Ref 528247Bioorg Med Chem Lett. 2006 Sep 1;16(17):4668-73.Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists.

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