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

General Information of Drug (ID: DMFBOQ7)

• Drug Name: Xanthine Drug Info
• Synonyms: xanthine; 69-89-6; 2,6-Dihydroxypurine; Xanthin; 2,6-dioxopurine; Pseudoxanthine; Isoxanthine; 1H-Purine-2,6(3H,7H)-dione; Xanthic oxide; 1H-Purine-2,6-diol; 9H-Purine-2,6-diol; Purine-2,6-diol; 3,7-Dihydro-1H-purine-2,6-dione; 2,6(1,3)-Purinedion; 1H-Purine-2,6-dione, 3,7-dihydro-; 3,7-dihydropurine-2,6-dione; USAF CB-17; XAN; Purine-2(3H),6(1H)-dione; 2,6-Dioxo-1,2,3,6-tetrahydropurine; 3,9-dihydro-1H-purine-2,6-dione; 9H-Purine-2,6-(1H,3H)-dione; 1H-Purine-2,6-dione, 3,9-dihydro-; Purine-2,6-(1H,3H)-dione; 9H-xanthine

Indication

Disease Entry	ICD 11	Status	REF
Apnea	MD11.0	Phase 1	[1]

• Cross-matching ID:
  PubChem CID: 1188
  ChEBI ID: CHEMBL1424
  CAS Number: CAS 69-89-6
  TTD Drug ID: DMFBOQ7
  INTEDE Drug ID: DR1719

Molecule-Related Drug Atlas

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	[5]
Vidarabine	DM0N85H	Hepatosplenic T-cell lymphoma		Approved	[5]
A295	DM55GO2	Aggressive cancer	2A00-2F9Z	IND submitted	[6]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[7]
YT-146	DM3YVKQ	Hypertension	BA00-BA04	Phase 2	[8]
AB928	DMDOXMN	Metastatic colorectal cancer	2B91	Phase 1/2	[9]
KF-17837	DMQ6DLZ	Parkinson disease	8A00.0	Phase 1	[10]
CVT-6883	DMY84TW	Asthma	CA23	Phase 1	[11]
PBF-1129	DMOPGXM	Non-small-cell lung cancer	2C25.Y	Phase 1	[9]
PF-1913539	DMXEU14	Alzheimer disease	8A20	Discontinued in Phase 3	[12]

Drug(s) Metabolized By Cytochrome P450 1A2 (CYP1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[13]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[14]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[15]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[16]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[17]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[18]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[19]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[20]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[21]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[22]

Drug(s) Metabolized By Xanthine dehydrogenase/oxidase (XDH)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[23]

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]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[3]
Xanthine dehydrogenase/oxidase (XDH)	DECG04O	XDH_HUMAN	Substrate	[4]

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: 4557).
• [2] Role of adenosine in asthma. Drug Dev Res. 1996;39:333-6.
• [3] Rapid determination of five probe drugs and their metabolites in human plasma and urine by liquid chromatography/tandem mass spectrometry: application to cytochrome P450 phenotyping studies. Rapid Commun Mass Spectrom. 2004;18(23):2921-33.
• [4] Molecular characterization and taurine regulation of two novel CDOs (CDO1 and CDO2) from Carassius auratus. Comp Biochem Physiol B Biochem Mol Biol. 2019 Sep;235:54-61.
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [6] Clinical pipeline report, company report or official report of Klus Pharma
• [7] 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.
• [8] Identification of adenosine A2 receptor-cAMP system in human aortic endothelial cells. Biochem Biophys Res Commun. 1994 Mar 15;199(2):905-10.
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] 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.
• [11] 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.
• [12] 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.
• [13] Roles of cytochromes P450 1A2, 2A6, and 2C8 in 5-fluorouracil formation from tegafur, an anticancer prodrug, in human liver microsomes. Drug Metab Dispos. 2000 Dec;28(12):1457-63.
• [14] Effects of polyunsaturated fatty acids on prostaglandin synthesis and cyclooxygenase-mediated DNA adduct formation by heterocyclic aromatic amines in human adenocarcinoma colon cells. Mol Carcinog. 2004 Jul;40(3):180-8.
• [15] Endoxifen and other metabolites of tamoxifen inhibit human hydroxysteroid sulfotransferase 2A1 (hSULT2A1). Drug Metab Dispos. 2014 Nov;42(11):1843-50.
• [16] Cytochrome P450 1A2 (CYP1A2) activity and risk factors for breast cancer: a cross-sectional study. Breast Cancer Res. 2004;6(4):R352-65.
• [17] PharmGKB summary: pathways of acetaminophen metabolism at the therapeutic versus toxic doses. Pharmacogenet Genomics. 2015 Aug;25(8):416-26.
• [18] The effect of apigenin on pharmacokinetics of imatinib and its metabolite N-desmethyl imatinib in rats. Biomed Res Int. 2013;2013:789184.
• [19] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [20] The influence of metabolic gene polymorphisms on urinary 1-hydroxypyrene concentrations in Chinese coke oven workers. Sci Total Environ. 2007 Aug 1;381(1-3):38-46.
• [21] Identification of P450 enzymes involved in metabolism of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1993 Sep;348(3):332-7.
• [22] Metabolism and metabolic inhibition of xanthotoxol in human liver microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.
• [23] Xanthine oxidoreductase in drug metabolism: beyond a role as a detoxifying enzyme. Curr Med Chem. 2016;23(35):4027-4036.