Details of the Drug

General Information of Drug (ID: DMURH4X)

Drug Name

Oxypurinol

Synonyms

Oxypurinol (intravenous)

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Phase 2/3	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

152.11

Topological Polar Surface Area (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 23.3 +/- 6.0 hours [2]

Chemical Identifiers

Formula: C5H4N4O2
IUPAC Name: 1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
Canonical SMILES: C1=NNC2=C1C(=O)NC(=O)N2
InChI: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKey: HXNFUBHNUDHIGC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135398752
ChEBI ID: CHEBI:28315
CAS Number: 2465-59-0
DrugBank ID: DB05262
TTD ID: D08FWK
VARIDT ID: DR00123

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[3]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Urate anion exchanger 1 (SLC22A12)	DT2WLAD	S22AC_HUMAN	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00063687) Oxypurinol Compared With Placebo for Class III-IV NYHA Congestive Heart Failure. U.S. National Institutes of Health.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Oxypurinol as an inhibitor of xanthine oxidase-catalyzed production of superoxide radical. Biochem Pharmacol. 1988 Jan 15;37(2):349-52.
4	Involvement of uric acid transporter in increased renal clearance of the xanthine oxidase inhibitor oxypurinol induced by a uricosuric agent, benzbromarone. Drug Metab Dispos. 2005 Dec;33(12):1791-5.
5	Concentration-dependent mode of interaction of angiotensin II receptor blockers with uric acid transporter. J Pharmacol Exp Ther. 2007 Jan;320(1):211-7.
6	Human urate transporter 1 (hURAT1) mediates the transport of orotate. J Physiol Sci. 2011 May;61(3):253-7.
7	Allopurinol: xanthine oxidase inhibitor. Tex Med. 1966 Jan;62(1):100-1.
8	Clinical pipeline report, company report or official report of Takeda (2009).
9	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
10	Inhibition studies of bovine xanthine oxidase by luteolin, silibinin, quercetin, and curcumin. J Nat Prod. 2009 Apr;72(4):725-31.
11	Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.
12	QT/QTc study conducted in Japanese adult healthy subjects: a novel xanthine oxidase inhibitor topiroxostat was not associated with QT prolongation. J Clin Pharmacol. 2014 Apr;54(4):446-52.
13	Clinical pipeline report, company report or official report of Teijin Pharma.
14	Pharmacokinetics, pharmacodynamics, and tolerability of LC350189, a novel xanthine oxidase inhibitor, in healthy subjects. Drug Des Devel Ther. 2015 Aug 31;9:5033-49.
15	An updated patent review: xanthine oxidase inhibitors for the treatment of hyperuricemia and gout (2011-2015).Expert Opin Ther Pat. 2017 Mar;27(3):311-345.