Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08DOG
|
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| Former ID |
DNC008970
|
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| Drug Name |
A-846714
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H18N6
|
||||
| Canonical SMILES |
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=C(C=C3)C#N)N
|
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| 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
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Histamine H4 receptor | Target Info | Inhibitor | [1] | |
| 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 1 | J 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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