Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K1UA
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| Former ID |
DNC011880
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| Drug Name |
1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
Allyltheobromine; 1-Allyltheobromine; Theobromine, 1-allyl-; UNII-4JG7O04XYX; 2530-99-6; 4JG7O04XYX; CHEMBL25427; 1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione; Allyltheobromin; NSC40882; AC1L5YRZ; 3,7-dimethyl-1-prop-2-enylpurine-2,6-dione; AC1Q6LF9; SCHEMBL8435386; CTK4F5434; MolPort-001-981-271; HMS1586E14; ZINC349954; NSC-40882; BDBM50025568; STL378446; AKOS002340304; MCULE-9142254572; BAS 02549760; WLN: T56 BN DN FNVNVJ B1 F1 H1U2; 1H-Purine-2, 3,7-dihydro-3,7-dimethyl-1-(2-propenyl)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C10H12N4O2
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| Canonical SMILES |
CN1C=NC2=C1C(=O)N(C(=O)N2C)CC=C
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| InChI |
1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3
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| InChIKey |
BTFHIKZOEZREBX-UHFFFAOYSA-N
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| CAS Number |
CAS 2530-99-6
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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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