Drug Information

Drug General Information
Drug ID
D0N6AS
Former ID
DNC009738
Drug Name
AC-Nle-c[Asp-His-DPhe-Pro-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530169]
Structure
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2D MOL

3D MOL
Formula
C49H64N12O9
Canonical SMILES
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(<br />NC(=O)C(NC1=O)CC3=CN=CN3)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C6<br />5)C(=O)N)NC(=O)C
InChI
1S/C49H64N12O9/c1-3-4-16-36(55-29(2)62)44(65)58-39-25-42(63)52-20-11-10-18-35(43(50)64)56-45(66)37(23-31-26-53-34-17-9-8-15-33(31)34)59-48(69)41-19-12-21-61(41)49(70)40(22-30-13-6-5-7-14-30)60-46(67)38(57-47(39)68)24-32-27-51-28-54-32/h5-9,13-15,17,26-28,35-41,53H,3-4,10-12,16,18-25H2,1-2H3,(H2,50,64)(H,51,54)(H,52,63)(H,55,62)(H,56,66)(H,57,68)(H,58,65)(H,59,69)(H,60,67)/t35-,36-,37-,38-,39-,40+,41-/m0/s1
InChIKey
ZHWWUNQUSCAJKE-CQPWUTEUSA-N
PubChem Compound ID
44158031
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [530169]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
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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