Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMZE5GX)

Drug Name

1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione Drug Info

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)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 237430
CAS Number: CAS 2530-99-6
TTD Drug ID: DMZE5GX

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

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Drug(s) Targeting Adenosine A2a receptor (ADORA2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[2]
Istradefylline	DM20VSK	Parkinson disease	8A00.0	Approved	[3]
Regadenoson	DM76VHG	Radionuclide imaging	N.A.	Approved	[4]
Tozadenant	DMATC14	Parkinson disease	8A00.0	Phase 3	[5]
Binodenoson	DMVHF8G	Hypertension	BA00-BA04	Phase 3	[6]
Apadenoson	DMD8QTC	Coronary artery disease	BA80	Phase 3	[7]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[8]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[9]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[10]
BIIB014	DMH7RJ1	Parkinson disease	8A00.0	Phase 2	[11]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

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References

1	Analogues of caffeine and theophylline: effect of structural alterations on affinity at adenosine receptors. J Med Chem. 1986 Jul;29(7):1305-8.
2	Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
3	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
5	Tozadenant (SYN115) in patients with Parkinson's disease who have motor fluctuations on levodopa: a phase 2b, double-blind, randomised trial. Lancet Neurol. 2014 Aug;13(8):767-76.
6	Coronary circulation responses to binodenoson, a selective adenosine A2A receptor agonist. Am J Cardiol. 2007 Jun 1;99(11):1507-12.
7	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3290).
8	2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.
9	The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
10	Adenosine A1/A2a receptor agonist AMP-579 induces acute and delayed preconditioning against in vivo myocardial stunning. Am J Physiol Heart Circ Physiol. 2004 Dec;287(6):H2746-53.
11	Novel pharmacological targets for the treatment of Parkinson's disease. Nat Rev Drug Discov. 2006 Oct;5(10):845-54.