Drug Information

Drug General Information
Drug ID
D0P8DW
Former ID
DNC008971
Drug Name
A-943931
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529717]
Structure
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2D MOL

3D MOL
Formula
C17H21N5
Canonical SMILES
C1CC2=CC=CC=C2C3=C(C1)C(=NC(=N3)N)N4CCC(C4)N
InChI
1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
InChIKey
SDTRYHWIXVHTLM-GFCCVEGCSA-N
PubChem Compound ID
25068753
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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