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

General Information of Drug (ID: DMQSC21)

• Drug Name: (S)-DHPA Drug Info
• Synonyms: S-Dihydroxypropyladenine; (S)-9-(2,3-Dihydroxypropyl)adenine; (S)-DHPA; 9-D-(2,3-Dihydroxypropyl)adenine; 54262-83-8; BRN 0990757; (2s)-3-(6-amino-9h-purin-9-yl)propane-1,2-diol; (2S)-3-(6-aminopurin-9-yl)propane-1,2-diol; (S)-3-(6-Amino-9H-purin-9-yl)-1,2-propanediol; 1,2-Propanediol, 3-(6-amino-9H-purin-9-yl)-, (S)-; 9-(S)-(2,3-Dihydroxypropyl)adenine; AC1Q4VGK; DHPA, (S)-DHPA; AC1L2JB5; 5-26-16-00201 (Beilstein Handbook Reference); SCHEMBL936286; CHEMBL494759; CTK5A0230; 9-(1,2-dihydroxypropyl)adenine; ZINC370772

Indication

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

• Cross-matching ID:
  PubChem CID: 73124
  ChEBI ID: CHEMBL494759
  CAS Number: CAS 54262-83-8
  TTD Drug ID: DMQSC21

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A2a receptor (ADORA2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Caffeine	DMKBJWP	Allergic rhinitis	CA08.0	Approved	[3]
Istradefylline	DM20VSK	Parkinson disease	8A00.0	Approved	[4]
Regadenoson	DM76VHG	Radionuclide imaging	N.A.	Approved	[5]
Tozadenant	DMATC14	Parkinson disease	8A00.0	Phase 3	[6]
Binodenoson	DMVHF8G	Hypertension	BA00-BA04	Phase 3	[7]
Apadenoson	DMD8QTC	Coronary artery disease	BA80	Phase 3	[8]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[9]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[10]
AMP-579	DMJ4GPR	Hyperlipidaemia	5C80	Phase 2	[11]
BIIB014	DMH7RJ1	Parkinson disease	8A00.0	Phase 2	[12]

Drug(s) Affected By Myc proto-oncogene protein (MYC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[13]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[14]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[15]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[16]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Selenium	DM25CGV	N. A.	N. A.	Approved	[18]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[19]
Trametinib	DM2JGQ3	Melanoma	2C30	Approved	[20]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[21]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Myc proto-oncogene protein (MYC)	OTPV5LUK	MYC_HUMAN	Gene/Protein Processing	[2]

References

• [1] 8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorg Med Chem. 2009 Apr 1;17(7):2812-22.
• [2] Alpha anomer of 5-aza-2'-deoxycytidine down-regulates hTERT mRNA expression in human leukemia HL-60 cells. Biochem Pharmacol. 2008 Feb 15;75(4):965-72. doi: 10.1016/j.bcp.2007.10.018. Epub 2007 Oct 22.
• [3] Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [6] 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.
• [7] Coronary circulation responses to binodenoson, a selective adenosine A2A receptor agonist. Am J Cardiol. 2007 Jun 1;99(11):1507-12.
• [8] 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).
• [9] 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.
• [10] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [11] 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.
• [12] Novel pharmacological targets for the treatment of Parkinson's disease. Nat Rev Drug Discov. 2006 Oct;5(10):845-54.
• [13] Acetaminophen-induced proliferation of estrogen-responsive breast cancer cells is associated with increases in c-myc RNA expression and NF-kappaB activity. Toxicol Sci. 2002 Apr;66(2):233-43. doi: 10.1093/toxsci/66.2.233.
• [14] Sertraline induces endoplasmic reticulum stress in hepatic cells. Toxicology. 2014 Aug 1;322:78-88. doi: 10.1016/j.tox.2014.05.007. Epub 2014 May 24.
• [15] Estrogen regulation in human breast cancer cells of new downstream gene targets involved in estrogen metabolism, cell proliferation and cell transformation. J Mol Endocrinol. 2004 Apr;32(2):397-414.
• [16] ZD1839 induces p15INK4b and causes G1 arrest by inhibiting the mitogen-activated protein kinase/extracellular signal-regulated kinase pathway. Mol Cancer Ther. 2007 May;6(5):1579-87. doi: 10.1158/1535-7163.MCT-06-0814.
• [17] Arsenic suppresses gene expression in promyelocytic leukemia cells partly through Sp1 oxidation. Blood. 2005 Jul 1;106(1):304-10.
• [18] Selenite and selenomethionine promote HL-60 cell cycle progression. J Nutr. 2002 Apr;132(4):674-9. doi: 10.1093/jn/132.4.674.
• [19] Ribavirin augments doxorubicin's efficacy in human hepatocellular carcinoma through inhibiting doxorubicin-induced eIF4E activation. J Biochem Mol Toxicol. 2018 Jan;32(1). doi: 10.1002/jbt.22007. Epub 2017 Nov 7.
• [20] Combination small molecule MEK and PI3K inhibition enhances uveal melanoma cell death in a mutant GNAQ- and GNA11-dependent manner. Clin Cancer Res. 2012 Aug 15;18(16):4345-55. doi: 10.1158/1078-0432.CCR-11-3227. Epub 2012 Jun 25.
• [21] Novel detection and differential utilization of a c-myc transcriptional block in colon cancer chemoprevention. Cancer Res. 2002 Nov 1;62(21):6006-10.
• [22] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.