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

General Information of Drug (ID: DMYPQEW)

• Drug Name: 2-chloroadenosine Drug Info
• Synonyms: 2Cl-Ado; CADO

Indication

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

• Cross-matching ID:
  PubChem CID: 8974
  ChEBI ID: CHEBI:125640
  CAS Number: CAS 146-77-0
  TTD Drug ID: DMYPQEW

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	[6]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[8]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[9]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[10]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[11]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[12]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[13]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[9]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[9]

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	[14]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[14]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[15]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[16]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[17]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[18]
Xanthine	DMFBOQ7	Apnea	MD11.0	Phase 1	[19]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[20]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[17]

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[21]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[22]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[23]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[24]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[25]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[26]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[24]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[27]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[28]

Drug(s) Affected By Metastasis-associated protein MTA1 (MTA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[29]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[30]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[31]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[32]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[33]
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[34]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[35]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[36]
Mifepristone	DMGZQEF	Cushing disease	5A70	Approved	[37]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[38]

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	Agonist	[2]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Agonist	[3]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Agonist	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Metastasis-associated protein MTA1 (MTA1)	OTBHW3S9	MTA1_HUMAN	Gene/Protein Processing	[5]

References

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• [11] 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.
• [12] 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.
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• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [18] 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.
• [19] Role of adenosine in asthma. Drug Dev Res. 1996;39:333-6.
• [20] 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.
• [21] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [22] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [23] 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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• [25] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004779)
• [26] 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.
• [27] A1 adenosine receptor agonists and their potential therapeutic applications. Expert Opin Investig Drugs. 2008 Dec;17(12):1901-10.
• [28] 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.
• [29] Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
• [30] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [31] 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.
• [32] [Impact of arsenic trioxide on proliferation and metastasis of drug-resistant human ovarian carcinoma cell line]. Ai Zheng. 2002 Aug;21(8):863-7.
• [33] Effects of aspirin on metastasis-associated gene expression detected by cDNA microarray. Acta Pharmacol Sin. 2004 Oct;25(10):1327-33.
• [34] The differential cancer growth associated with anaesthetics in a cancer xenograft model of mice: mechanisms and implications of postoperative cancer recurrence. Cell Biol Toxicol. 2023 Aug;39(4):1561-1575. doi: 10.1007/s10565-022-09747-9. Epub 2022 Aug 12.
• [35] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [36] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
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• [38] Zoledronate dysregulates fatty acid metabolism in renal tubular epithelial cells to induce nephrotoxicity. Arch Toxicol. 2018 Jan;92(1):469-485.