Drug Information

Drug General Information
Drug ID
D0XQ5U
Former ID
DNC008091
Drug Name
C[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-Trp-Lys]-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529226]
Structure
Download
2D MOL

3D MOL
Formula
C42H48N12O6
Canonical SMILES
C1CCNC(=O)C2=NC=CN=C2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C1<br />)C(=O)N)CC3=CNC4=CC=CC=C43)CCCN=C(N)N)CC5=CC6=CC=CC=C6C<br />=C5
InChI
1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/m0/s1
InChIKey
YIHQUVPRWHIYHB-SSNHPIBPSA-N
PubChem Compound ID
24774438
Target and Pathway
Target(s) Melanocyte stimulating hormone receptor Target Info Inhibitor [529226]
Melanocortin receptor Target Info Inhibitor [529226]
Melanocortin-3 receptor Target Info Inhibitor [529226]
KEGG Pathway Neuroactive ligand-receptor interaction
Melanogenesishsa04080:Neuroactive ligand-receptor interaction
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.