Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A2WH
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| Former ID |
DNC004203
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| Drug Name |
1-Butyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1-Butylxanthine; CHEMBL68278; 1-Butyl-3,7-dihydro-purine-2,6-dione; SCHEMBL6233166
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C9H12N4O2
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| Canonical SMILES |
CCCCN1C(=O)C2=C(NC1=O)N=CN2
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| InChI |
1S/C9H12N4O2/c1-2-3-4-13-8(14)6-7(11-5-10-6)12-9(13)15/h5H,2-4H2,1H3,(H,10,11)(H,12,15)
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| InChIKey |
HZPVRRDNEDXPAJ-UHFFFAOYSA-N
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| CAS Number |
CAS 60942-22-5
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A3 receptor (ADORA3) | Target Info | Inhibitor | [1] |
| Reactome | Adenosine P1 receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. J Med Chem. 2002 May 23;45(11):2131-8. | |||
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