Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0LM1Q
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| Former ID |
DNC011883
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| Drug Name |
1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1,3-dibenzyl-3,7-dihydro-1h-purine-2,6-dione; CHEMBL24774; 31542-68-4; NSC70563; AC1Q6LGR; 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione; 1,3-Dibenzyl-1H-purine-2,6(3H,7H)-dione; AC1L5IF2; SCHEMBL3107001; CTK4G7326; NSC-70563; BDBM50025573; 1,3-dibenzyl-7H-purine-2,6-dione
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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 |
C19H16N4O2
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| Canonical SMILES |
C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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| InChI |
1S/C19H16N4O2/c24-18-16-17(21-13-20-16)22(11-14-7-3-1-4-8-14)19(25)23(18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21)
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| InChIKey |
NHCLZKKZQJJXER-UHFFFAOYSA-N
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| CAS Number |
CAS 31542-68-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2a receptor (ADORA2A) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Rap1 signaling pathway | |||
| Calcium signaling pathway | ||||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Parkinson's disease | ||||
| Alcoholism | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2a and Adenosine | |||
| Pathway Interaction Database | HIF-2-alpha transcription factor network | |||
| Reactome | NGF-independant TRKA activation | |||
| Adenosine P1 receptors | ||||
| G alpha (s) signalling events | ||||
| Surfactant metabolism | ||||
| WikiPathways | Nucleotide GPCRs | |||
| Monoamine Transport | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| NGF signalling via TRKA from the plasma membrane | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Analogues of caffeine and theophylline: effect of structural alterations on affinity at adenosine receptors. J Med Chem. 1986 Jul;29(7):1305-8. | |||
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