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

General Information of Drug (ID: DM72US0)

• Drug Name: MRE 3008F20 Drug Info
• Synonyms: CJRNHKSLHHWUAB-UHFFFAOYSA-N; MRE 3008-F20; 252979-43-4; CHEMBL302765; MCP-NECA; 3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7300^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea; [3H]MRE 3008F20; GTPL477; GTPL459; SCHEMBL958405; BDBM85618; MolPort-023-277-046; ZINC602413; MRE-3008F-20; AKOS024457944; NCGC00378820-01; KB-274663; J1251181G; L000411; N-[2-(2-Furanyl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-N'-(4-methoxyphenyl)urea; MRE 3008-F20

Indication

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

• Cross-matching ID:
  PubChem CID: 5310960
  TTD Drug ID: DM72US0

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	[5]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[6]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[7]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[8]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[9]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[10]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[11]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[12]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[8]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[8]

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	[13]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[13]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[14]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[6]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[15]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[16]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[17]
Xanthine	DMFBOQ7	Apnea	MD11.0	Phase 1	[18]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[19]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[16]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[20]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[21]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[6]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[22]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[23]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[24]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[25]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[23]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[26]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[27]

Drug(s) Affected By Adenosine receptor A3 (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[28]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[29]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[30]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[31]
Adenosine	DMM2NSK	Paroxysmal supraventricular tachycardia	BC81.Z	Approved	[32]
Amiodarone	DMUTEX3	Tachyarrhythmias	BC71	Approved	[33]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[34]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[35]
Indomethacin	DMSC4A7	Bursitis		Approved	[36]
Amphotericin B	DMTAJQE	Acne vulgaris	ED80	Approved	[37]

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	Antagonist	[2]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Antagonist	[2]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Agonist	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Adenosine receptor A3 (ADORA3)	OTHO1BLK	AA3R_HUMAN	Protein Interaction/Cellular Processes	[4]

References

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• [3] [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors. Mol Pharmacol. 2000 May;57(5):968-75.
• [4] New 2-heterocyclyl-imidazo[2,1-i]purin-5-one derivatives as potent and selective human A3 adenosine receptor antagonists. J Med Chem. 2011 Jul 28;54(14):5205-20. doi: 10.1021/jm2004738. Epub 2011 Jun 28.
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• [10] 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.
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• [16] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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• [20] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [21] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [22] 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.
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• [24] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004779)
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• [26] A1 adenosine receptor agonists and their potential therapeutic applications. Expert Opin Investig Drugs. 2008 Dec;17(12):1901-10.
• [27] 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.
• [28] Methotrexate enhances the anti-inflammatory effect of CF101 via up-regulation of the A3 adenosine receptor expression. Arthritis Res Ther. 2006;8(6):R169. doi: 10.1186/ar2078.
• [29] Differential modulation of PI3-kinase/Akt pathway during all-trans retinoic acid- and Am80-induced HL-60 cell differentiation revealed by DNA microarray analysis. Biochem Pharmacol. 2004 Dec 1;68(11):2177-86.
• [30] Identification of vitamin D3 target genes in human breast cancer tissue. J Steroid Biochem Mol Biol. 2016 Nov;164:90-97.
• [31] Integrative "-Omics" analysis in primary human hepatocytes unravels persistent mechanisms of cyclosporine A-induced cholestasis. Chem Res Toxicol. 2016 Dec 19;29(12):2164-2174.
• [32] Adenosine up-regulates vascular endothelial growth factor in human macrophages. Biochem Biophys Res Commun. 2010 Feb 12;392(3):351-6. doi: 10.1016/j.bbrc.2010.01.023. Epub 2010 Jan 11.
• [33] Identification by automated screening of a small molecule that selectively eliminates neural stem cells derived from hESCs but not dopamine neurons. PLoS One. 2009 Sep 23;4(9):e7155.
• [34] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [35] Low doses of cisplatin induce gene alterations, cell cycle arrest, and apoptosis in human promyelocytic leukemia cells. Biomark Insights. 2016 Aug 24;11:113-21.
• [36] Indomethacin stimulates activity and expression of ecto-5'-nucleotidase/CD73 in glioma cell lines. Eur J Pharmacol. 2007 Aug 13;569(1-2):8-15.
• [37] Differential expression of microRNAs and their predicted targets in renal cells exposed to amphotericin B and its complex with copper (II) ions. Toxicol Mech Methods. 2017 Sep;27(7):537-543. doi: 10.1080/15376516.2017.1333554. Epub 2017 Jun 8.