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

General Information of Drug (ID: DML5J94)

• Drug Name: 1-Propyl-3,7-dihydro-purine-2,6-dione Drug Info
• Synonyms: 1-Propylxanthine; 104285-82-7; CHEMBL39986; 1H-Purine-2,6-dione,3,9-dihydro-1-propyl-; 1-Propyl-3,7-dihydro-purine-2,6-dione; ACMC-1BNN6; AC1L2TY0; SCHEMBL4423680; SCHEMBL8930198; CTK4A2909; DTXSID10146367; IWBONKMODGBEOX-UHFFFAOYSA-N; BDBM50001490; 1-propyl-3,7-dihydropurine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1-propyl-

Indication

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

• Cross-matching ID:
  PubChem CID: 128525
  CAS Number: CAS 104285-82-7
  TTD Drug ID: DML5J94

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IB-MECA	DM9G5XD	Psoriasis vulgaris	EA90	Phase 3	[2]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[3]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[4]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[5]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[6]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[7]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[8]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[9]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[5]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[5]

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	[10]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[10]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[11]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[3]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[12]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[13]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[14]
Xanthine	DMFBOQ7	Apnea	MD11.0	Phase 1	[15]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[16]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[13]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[17]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[18]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[3]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[19]
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 A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

References

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• [2] A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
• [3] 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.
• [4] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [5] 2011 Pipeline of Can-Fite BioPharm.
• [6] Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4.
• [7] Adenosine A1R/A3R (Adenosine A1 and A3 Receptor) Agonist AST-004 Reduces Brain Infarction in a Nonhuman Primate Model of Stroke. Stroke. 2022 Jan;53(1):238-248.
• [8] 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.
• [9] Protein kinase C protects preconditioned rabbit hearts by increasing sensitivity of adenosine A2b-dependent signaling during early reperfusion. J Mol Cell Cardiol. 2007 Sep;43(3):262-71.
• [10] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [11] Clinical pipeline report, company report or official report of Klus Pharma
• [12] Identification of adenosine A2 receptor-cAMP system in human aortic endothelial cells. Biochem Biophys Res Commun. 1994 Mar 15;199(2):905-10.
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] 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.
• [15] Role of adenosine in asthma. Drug Dev Res. 1996;39:333-6.
• [16] 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.
• [17] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [18] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [19] 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.
• [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.