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

General Information of Drug (ID: DMSKWL7)

• Drug Name: MRS1088 Drug Info
• Synonyms: 3,6-dichloroflavone; MRS-1088; NSC-74876

Indication

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

• Cross-matching ID:
  PubChem CID: 252696
  CAS Number: CAS 13179-00-5
  TTD Drug ID: DMSKWL7

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	[3]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[4]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[5]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[6]
SCH-442416	DMQ2K1V	N. A.	N. A.	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	[6]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[6]
Methylthioadenosine	DMC8J6F	Multiple sclerosis	8A40	Terminated	[10]

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	[11]
Vidarabine	DM0N85H	Herpes simplex virus infection	1F00	Approved	[11]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[4]
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]
PF-1913539	DMXEU14	Alzheimer disease	8A20	Discontinued in Phase 3	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Antagonist	[2]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Antagonist	[2]

References

• [1] 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: 429).
• [2] Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists. J Med Chem. 1996 Jun 7;39(12):2293-301.
• [3] A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
• [4] 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.
• [5] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [6] 2011 Pipeline of Can-Fite BioPharm.
• [7] 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.
• [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] Novel amino acid derived natural products from the ascidian Atriolum robustum: identification and pharmacological characterization of a unique aden... J Med Chem. 2004 Apr 22;47(9):2243-55.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [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] Differences in the order of potency for agonists but not antagonists at human and rat adenosine A2A receptors. Biochem Pharmacol. 1999 Jan 1;57(1):65-75.