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

General Information of Drug (ID: DMUL2B3)

• Drug Name: 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione Drug Info
• Synonyms: 1,3-Dipropylxanthine; 31542-62-8; 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione; UNII-Z02T66W92D; CHEMBL157655; Z02T66W92D; 1,3-dipropyl-7H-purine-2,6-dione; 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione; 1,3-dipropyl-xanthine; AC1Q6LGS; 1,3-di-n-propylxanthine; AC1L53IX; GTPL427; SCHEMBL515771; 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dipropyl-; BDBM82032; CTK4G7324; DTXSID00185447; MJVIGUCNSRXAFO-UHFFFAOYSA-N; ZINC4654890; PDSP2_000967; PDSP1_000983; PDSP1_000328; PDSP2_001217; BDBM50227331

Indication

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

• Cross-matching ID:
  PubChem CID: 169317
  CAS Number: CAS 31542-62-8
  TTD Drug ID: DMUL2B3

Molecule-Related Drug Atlas

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]

Drug(s) Targeting Adenosine A2b receptor (ADORA2B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Adenosine	DMM2NSK	Paroxysmal supraventricular tachycardia	BC81.Z	Approved	[12]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[12]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[13]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[8]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[14]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[15]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[16]
Xanthine	DMFBOQ7	Apnea	MD11.0	Phase 1	[17]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[18]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[15]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[2]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[19]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[8]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[10]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[20]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[21]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[22]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[20]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[23]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]

References

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• [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.
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [13] Clinical pipeline report, company report or official report of Klus Pharma
• [14] Identification of adenosine A2 receptor-cAMP system in human aortic endothelial cells. Biochem Biophys Res Commun. 1994 Mar 15;199(2):905-10.
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [16] Photoisomerization of a potent and selective adenosine A2 antagonist, (E)-1,3-Dipropyl-8-(3,4-dimethoxystyryl)-7-methylxanthine. J Med Chem. 1993 Nov 12;36(23):3731-3.
• [17] Role of adenosine in asthma. Drug Dev Res. 1996;39:333-6.
• [18] GS-6201, a selective blocker of the A2B adenosine receptor, attenuates cardiac remodeling after acute myocardial infarction in the mouse. J Pharmacol Exp Ther. 2012 Dec;343(3):587-95.
• [19] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [20] Recent developments in adenosine receptor ligands and their potential as novel drugs. Biochim Biophys Acta. 2011 May;1808(5):1290-308.
• [21] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004779)
• [22] Role of matrix metalloproteinases and their tissue inhibitors as potential biomarkers of left ventricular remodelling in the athlete's heart. Clin Sci (Lond). 2009 Jul 16;117(4):157-64.
• [23] A1 adenosine receptor agonists and their potential therapeutic applications. Expert Opin Investig Drugs. 2008 Dec;17(12):1901-10.
• [24] Separation of on-target efficacy from adverse effects through rational design of a bitopic adenosine receptor agonist. Current Issue vol. 111 no. 12 Celine Valant, 4614-4619.