Drug General Information
Drug ID
D0WI8M
Former ID
DNC008090
Drug Name
C[CO-(CH2)2-CO-Nle-D-Nal(2)-Arg-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529226]
Structure
Download
2D MOL

3D MOL

Formula
C46H61N11O7
Canonical SMILES
C1CCC(=O)CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(<br />C1)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CC4=CNC5=CC=CC=C54<br />)C(=O)N
InChI
1S/C46H61N11O7/c47-34-14-5-3-12-32(58)20-21-40(59)51-22-8-7-16-36(41(48)60)54-45(64)39(26-31-27-53-35-15-6-4-13-33(31)35)57-43(62)37(17-9-23-52-46(49)50)55-44(63)38(56-42(34)61)25-28-18-19-29-10-1-2-11-30(29)24-28/h1-2,4,6,10-11,13,15,18-19,24,27,34,36-39,53H,3,5,7-9,12,14,16-17,20-23,25-26,47H2,(H2,48,60)(H,51,59)(H,54,64)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t34-,36-,37-,38+,39-/m0/s1
InChIKey
KDTZLQMUHBEBMZ-OUBWENQOSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin receptor Target Info Inhibitor [529226]
Melanocortin-3 receptor Target Info Inhibitor [529226]
Melanocortin-4 receptor Target Info Inhibitor [529226]
Melanocyte stimulating hormone receptor Target Info Inhibitor [529226]
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 529226J Med Chem. 2008 Jan 24;51(2):187-95. Epub 2007 Dec 19.Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.
Ref 529226J Med Chem. 2008 Jan 24;51(2):187-95. Epub 2007 Dec 19.Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.

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