Drug Information

Drug General Information
Drug ID
D08DOG
Former ID
DNC008970
Drug Name
A-846714
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529717]
Structure
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2D MOL

3D MOL
Formula
C16H18N6
Canonical SMILES
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=C(C=C3)C#N)N
InChI
1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
InChIKey
QFKQUMBUFVKQBH-UHFFFAOYSA-N
PubChem Compound ID
25130235
Target and Pathway
Target(s) Histamine H4 receptor Target Info Inhibitor [529717]
KEGG Pathway Neuroactive ligand-receptor interaction
Reactome Histamine receptors
G alpha (i) signalling events
WikiPathways GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 529717J Med Chem. 2008 Oct 23;51(20):6547-57. Epub 2008 Sep 26.Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class of histamine H4 receptor antagonists with improved druglikeness and in vivo efficacy in pain and inflammation models.
Ref 529717J Med Chem. 2008 Oct 23;51(20):6547-57. Epub 2008 Sep 26.Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class of histamine H4 receptor antagonists with improved druglikeness and in vivo efficacy in pain and inflammation models.

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