Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0D9YL
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| Former ID |
DNC004216
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| Drug Name |
1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
CHEMBL63944; 120642-81-1; 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(phenylmethyl)-; phenyltheophylline; ACMC-20mp1i; 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione; SCHEMBL7453870; CTK0C3768; DTXSID50473801
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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 |
C13H12N4O2
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| Canonical SMILES |
CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC=N2
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| InChI |
1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
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| InChIKey |
YAYRUHPCXIPTID-UHFFFAOYSA-N
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| CAS Number |
CAS 120642-81-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2b receptor (ADORA2B) | Target Info | Inhibitor | [1] |
| Adenosine A3 receptor (ADORA3) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Alcoholism | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2b and Adenosine | |||
| Pathway Interaction Database | C-MYB transcription factor network | |||
| Reactome | Adenosine P1 receptors | |||
| G alpha (i) signalling events | ||||
| G alpha (s) signalling events | ||||
| Surfactant metabolism | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCRs, Other | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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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