Drug General Information
Drug ID
D0CK0K
Former ID
DNC008097
Drug Name
Ac-Nle-c[Asp-His-DNal(2')-Pro-Trp-Lys]-NH2
Indication Discovery agent Investigative [530169]
Structure
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2D MOL

3D MOL

Formula
C54H71N15O9
Canonical SMILES
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=<br />O)C(NC1=O)CC2=CN=CN2)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC<br />5=CNC6=CC=CC=C65)C(=O)N)NC(=O)C
InChI
1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42-,43-,44?,45+/m0/s1
InChIKey
GGYWLZFXFKFWKL-ZCMLEEDBSA-N
PubChem Compound ID
Target and Pathway
Target(s) Melanocortin-3 receptor Target Info Inhibitor [530169]
Melanocortin receptor Target Info Inhibitor [530169]
Melanocyte stimulating hormone receptor Target Info Inhibitor [530169]
Melanocortin-4 receptor Target Info Inhibitor [530169]
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 530169J Med Chem. 2009 Jun 25;52(12):3627-35.Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor.
Ref 530169J Med Chem. 2009 Jun 25;52(12):3627-35.Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor.

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