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

General Information of Drug (ID: DMMITAJ)

• Drug Name: 8-cyclopentyltheophylline Drug Info
• Synonyms: 8-Cyclopentyl-1,3-dimethylxanthine; 8-cyclopentyltheophylline; 35873-49-5; 8-Cyclopentyl theophylline; UNII-U7PWT4CPL5; U7PWT4CPL5; 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione; NSC 101806; BRN 1133199; Xanthine, 8-cyclopentyl-1,3-dimethyl-; Theophylline, 8-cyclopentyl-; CHEMBL106265; 8-Cyclopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 1,3-dimethyl-8-cyclopentylxanthine; Spectrum_000351; Lopac-C-102; AC1Q6LAU; AC1L1CIO; Spectrum4_000760; Spectrum2_001734; Spectrum5_001769; Spectrum3_000658; NCIOpen2_006919; Lopac0_000391

Indication

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

• Cross-matching ID:
  PubChem CID: 1917
  ChEBI ID: CHEBI:109538
  CAS Number: CAS 35873-49-5
  TTD Drug ID: DMMITAJ

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A1 receptor (ADORA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[4]
Rolofylline	DMSZPR3	Heart failure	BD10-BD13	Phase 3	[5]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[6]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[7]
SELODENOSON	DMQM3IX	Cardiac arrhythmias	BC9Z	Phase 2	[8]
Apaxifylline	DMQMV9F	Cognitive impairment	6D71	Phase 2	[9]
SLV320	DM867BJ	Heart failure	BD10-BD13	Phase 2	[10]
DTI-0009	DMV84OK	Atrial fibrillation	BC81.3	Phase 2	[8]
Capadenoson	DMYWO62	Atrial fibrillation	BC81.3	Phase 2	[11]
BAY 1067197	DM4JGNH	Heart failure	BD10-BD13	Phase 2	[12]

Drug(s) Affected By cAMP-dependent protein kinase type II-alpha regulatory subunit (PRKAR2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[14]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[15]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[16]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[17]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[18]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[19]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[20]
Triclosan	DMZUR4N	Malaria	1F40-1F45	Approved	[21]
Resveratrol	DM3RWXL	Giant cell arteritis	4A44.2	Phase 3	[22]

Drug(s) Affected By NAD-dependent protein deacetylase sirtuin-1 (SIRT1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[23]
Selenium	DM25CGV	N. A.	N. A.	Approved	[24]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[25]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[26]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[27]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[28]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[29]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[30]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[14]
Olaparib	DM8QB1D	Ovarian cancer	2C73	Approved	[31]

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]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
cAMP-dependent protein kinase type II-alpha regulatory subunit (PRKAR2A)	OTZ7P17Z	KAP2_HUMAN	Post-Translational Modifications	[3]
NAD-dependent protein deacetylase sirtuin-1 (SIRT1)	OTAYZMOY	SIR1_HUMAN	Gene/Protein Processing	[3]

References

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• [4] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [5] Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72.
• [6] 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.
• [7] 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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• [9] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004779)
• [10] 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.
• [11] A1 adenosine receptor agonists and their potential therapeutic applications. Expert Opin Investig Drugs. 2008 Dec;17(12):1901-10.
• [12] 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.
• [13] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [14] The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
• [15] Transcriptional profiling of testosterone-regulated genes in the skeletal muscle of human immunodeficiency virus-infected men experiencing weight loss. J Clin Endocrinol Metab. 2007 Jul;92(7):2793-802. doi: 10.1210/jc.2006-2722. Epub 2007 Apr 17.
• [16] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [17] 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.
• [18] Gene expression analysis of precision-cut human liver slices indicates stable expression of ADME-Tox related genes. Toxicol Appl Pharmacol. 2011 May 15;253(1):57-69.
• [19] Genistein and bisphenol A exposure cause estrogen receptor 1 to bind thousands of sites in a cell type-specific manner. Genome Res. 2012 Nov;22(11):2153-62.
• [20] Expression Profiling of Human Pluripotent Stem Cell-Derived Cardiomyocytes Exposed to Doxorubicin-Integration and Visualization of Multi-Omics Data. Toxicol Sci. 2018 May 1;163(1):182-195. doi: 10.1093/toxsci/kfy012.
• [21] Transcriptome and DNA methylome dynamics during triclosan-induced cardiomyocyte differentiation toxicity. Stem Cells Int. 2018 Oct 29;2018:8608327.
• [22] Gene expression profiling in Ishikawa cells: a fingerprint for estrogen active compounds. Toxicol Appl Pharmacol. 2009 Apr 1;236(1):85-96.
• [23] SIRT3 Mediates the Antioxidant Effect of Hydrogen Sulfide in Endothelial Cells. Antioxid Redox Signal. 2016 Feb 20;24(6):329-43. doi: 10.1089/ars.2015.6331. Epub 2015 Nov 10.
• [24] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [25] Expression profile analysis of colon cancer cells in response to sulindac or aspirin. Biochem Biophys Res Commun. 2002 Mar 29;292(2):498-512.
• [26] The p53/miR-34a/SIRT1 Positive Feedback Loop in Quercetin-Induced Apoptosis. Cell Physiol Biochem. 2015;35(6):2192-202. doi: 10.1159/000374024. Epub 2015 Apr 7.
• [27] AMPK activator acadesine fails to alleviate isoniazid-caused mitochondrial instability in HepG2 cells. J Appl Toxicol. 2017 Oct;37(10):1219-1224. doi: 10.1002/jat.3483. Epub 2017 May 29.
• [28] Arsenic trioxide induces apoptosis in NB-4, an acute promyelocytic leukemia cell line, through up-regulation of p73 via suppression of nuclear factor kappa B-mediated inhibition of p73 transcription and prevention of NF-kappaB-mediated induction of XIAP, cIAP2, BCL-XL and survivin. Med Oncol. 2010 Sep;27(3):833-42. doi: 10.1007/s12032-009-9294-9. Epub 2009 Sep 10.
• [29] Dual targeting of the antagonistic pathways mediated by Sirt1 and TXNIP as a putative approach to enhance the efficacy of anti-aging interventions. Aging (Albany NY). 2009 Mar 31;1(4):412-24. doi: 10.18632/aging.100035.
• [30] Hydroquinone-induced malignant transformation of TK6 cells by facilitating SIRT1-mediated p53 degradation and up-regulating KRAS. Toxicol Lett. 2016 Sep 30;259:133-142. doi: 10.1016/j.toxlet.2016.08.006. Epub 2016 Aug 8.
• [31] Iron overload inhibits cell proliferation and promotes autophagy via PARP1/SIRT1 signaling in endometriosis and adenomyosis. Toxicology. 2022 Jan 15;465:153050. doi: 10.1016/j.tox.2021.153050. Epub 2021 Nov 23.