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

General Information of Drug (ID: DMQ2K1V)

• Drug Name: SCH-442416 Drug Info
• Synonyms: 316173-57-6; SCH 442416; SCH-442416; UNII-ZMC4G1W59S; 2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine; SCH442416; ZMC4G1W59S; CHEMBL136689; SCH-442,416; 2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo-[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine; SCHEMBL981184; GTPL3283; CTK8B9468; CHEBI:92814; DTXSID70443263; MolPort-023-276-442; ZINC602847; HMS3269G07; BCP01942; MFCD08703126; BDBM50094037; ANW-62570; AKOS016003924; SCH442,416; NCGC00159575-01; AJ-23684; AC-27414
• Cross-matching ID:
  PubChem CID: 10668061
  ChEBI ID: CHEBI:92814
  CAS Number: CAS 316173-57-6
  TTD Drug ID: DMQ2K1V

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]
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	[6]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[6]
METHYLTHIOADENOSINE	DMC8J6F	Multiple sclerosis	8A40	Terminated	[10]

Drug(s) Targeting Adenosine A2a receptor (ADORA2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[11]
Istradefylline	DM20VSK	Parkinson disease	8A00.0	Approved	[12]
Regadenoson	DM76VHG	Radionuclide imaging	N.A.	Approved	[13]
Tozadenant	DMATC14	Parkinson disease	8A00.0	Phase 3	[14]
Binodenoson	DMVHF8G	Hypertension	BA00-BA04	Phase 3	[15]
Apadenoson	DMD8QTC	Coronary artery disease	BA80	Phase 3	[16]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[4]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[17]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[18]
BIIB014	DMH7RJ1	Parkinson disease	8A00.0	Phase 2	[19]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[11]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[20]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[4]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[18]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[21]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[22]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[23]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[21]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[24]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[25]

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 A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[2]

References

• [1] Design, radiosynthesis, and biodistribution of a new potent and selective ligand for in vivo imaging of the adenosine A(2A) receptor system using p... J Med Chem. 2000 Nov 16;43(23):4359-62.
• [2] 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.
• [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] 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] 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] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [13] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [14] 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.
• [15] Coronary circulation responses to binodenoson, a selective adenosine A2A receptor agonist. Am J Cardiol. 2007 Jun 1;99(11):1507-12.
• [16] 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).
• [17] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [18] 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.
• [19] Novel pharmacological targets for the treatment of Parkinson's disease. Nat Rev Drug Discov. 2006 Oct;5(10):845-54.
• [20] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [21] Recent developments in adenosine receptor ligands and their potential as novel drugs. Biochim Biophys Acta. 2011 May;1808(5):1290-308.
• [22] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004779)
• [23] 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.
• [24] A1 adenosine receptor agonists and their potential therapeutic applications. Expert Opin Investig Drugs. 2008 Dec;17(12):1901-10.
• [25] 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.