Drug Information

Drug General Information
Drug ID
D02WTN
Former ID
DNC007287
Drug Name
Hexanoic Acid (2,6-diphenylpyrimidin-4-yl)amide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527331]
Structure
Download
2D MOL

3D MOL
Formula
C21H21N3O
Canonical SMILES
CCCCC(=O)NC1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C21H21N3O/c1-2-3-14-20(25)23-19-15-18(16-10-6-4-7-11-16)22-21(24-19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25)
InChIKey
AJUVVGPOXGXRAI-UHFFFAOYSA-N
PubChem Compound ID
11404772
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [527331]
Adenosine A1 receptor Target Info Inhibitor [527331]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Morphine addiction
NetPath Pathway TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527331J Med Chem. 2004 Dec 16;47(26):6529-40.2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists.
Ref 527331J Med Chem. 2004 Dec 16;47(26):6529-40.2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists.

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