Details of the Drug

General Information of Drug (ID: DMLPAOB)

Drug Name

Allopurinol

Synonyms

Adenock; Ailural; Ailurial; Allohexal; Allohexan; Alloprin; Allopur; Allopurin; Allopurinolum; Allorin; Allozym; Allpargin; Allural; Aloprim; Alopurinol; Aloral; Alositol; Aluline; Anoprolin; Anzief; Apulonga; Apurin; Apurol; Atisuril; Bleminol; Bloxanth; Caplenal; Capurate; Cellidrin; Cosuric; Dabrosin; Dabroson; Embarin; Epidropal; Epuric; Foligan; Geapur; Gichtex; Gotax; Hamarin; Hexanuret; Jenapurinol; Ketanrift; Ledopur; Lopurin; Lysuron; Milurit; Milurite; Miniplanor; Monarch; Nektrohan; Novopurol; Progout; Pureduct; Purinol; Remid; Riball; Rimapurinol; Roucol; Sigapurol; Suspendol; Takanarumin; Tipuric; Urbol; Uribenz; Uricemil; Uridocid; Uriprim; Uripurinol; Uritas; Urobenyl; Urolit; Urosin; Urtias; Xanthomax; Xanturat; Xanturic; Zygout; Zyloprim; Zyloric; Dura Al; Pan Quimica; A 8003; BW 56158; Urtias 100; AL-100; Allo-Puren; Allohexal (TN); Allopurinol(I); Allosig (TN); Apo-Allopurinol; BW 56-158; Ketobun-A; Progout (TN); Puricos (TN); Quimica, Pan; Zyloprim (TN); Zyloric (TN); BW-56-158; B. W. 56-158; 4-HPP

Indication

Disease Entry	ICD 11	Status	REF
Hyperuricaemia	5C55.Y	Approved	[1], [2]

Therapeutic Class

Antimetabolites

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

136.11

Topological Polar Surface Area (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [3]
Clearance: The clearance of drug is 10 to 20 mL/min [4]
Elimination: Approximately 80% of orally ingested allopurinol is found excreted in the urine as various metabolites, and about 20% of ingested allopurinol is excreted in the feces [5]
Half-life: The concentration or amount of drug in body reduced by one-half in 1 - 2 hours [6]
Metabolism: The drug is metabolized via the purine salvage pathway [7]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 97.71233 micromolar/kg/day [8]
Unbound Fraction: The unbound fraction of drug in plasma is 0.97% [9]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.58 L/kg [9]
Water Solubility: The ability of drug to dissolve in water is measured as 0.569 mg/mL [3]

Chemical Identifiers

Formula: C5H4N4O
IUPAC Name: 1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Canonical SMILES: C1=NNC2=C1C(=O)NC=N2
InChI: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135401907
ChEBI ID: CHEBI:40279
CAS Number: 315-30-0
DrugBank ID: DB00437
TTD ID: D04KYY
VARIDT ID: DR00074
INTEDE ID: DR0066
ACDINA ID: D00020

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	[10], [11], [12]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporter 2 (SLC22A7)	DT0OC1Q	S22A7_HUMAN	Substrate	[13]
Organic anion transporter 3 (SLC22A8)	DTVP67E	S22A8_HUMAN	Substrate	[14]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
RNA cytidine acetyltransferase (hALP)_{Main DME}	DEZV4AP	NAT10_HUMAN	Substrate	[15]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Allopurinol

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Probenecid	DMMFWOJ	Minor	Increased renal excretion of Allopurinol caused by Probenecid.	Inborn purine/pyrimidine/nucleotide metabolism error [5C55]	[52]
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Coadministration of a Drug Treating the Disease Different from Allopurinol (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Tamoxifen	DMLB0EZ	Minor	Increased risk of hepatotoxicity by the combination of Allopurinol and Tamoxifen.	Breast cancer [2C60-2C6Y]	[53]
Anisindione	DM2C48U	Moderate	Decreased metabolism of Allopurinol caused by Anisindione mediated inhibition of CYP450 enzyme.	Coagulation defect [3B10]	[54]
Didanosine	DMI2QPE	Major	Decreased metabolism of Allopurinol caused by Didanosine mediated inhibition of non-CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[55]
Mercaptopurine	DMTM2IK	Major	Decreased metabolism of Allopurinol caused by Mercaptopurine mediated inhibition of non-CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[56]
Warfarin	DMJYCVW	Moderate	Decreased metabolism of Allopurinol caused by Warfarin mediated inhibition of CYP450 enzyme.	Supraventricular tachyarrhythmia [BC81]	[54]
Azathioprine	DMMZSXQ	Major	Decreased metabolism of Allopurinol caused by Azathioprine mediated inhibition of non-CYP450 enzyme.	Transplant rejection [NE84]	[56]
Chlorpropamide	DMPHZQE	Minor	Decreased renal excretion of Allopurinol caused by Chlorpropamide.	Type 2 diabetes mellitus [5A11]	[57]
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⏷ Show the Full List of 7 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Sodium lauryl sulfate	E00464	3423265	Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Stearic acid	E00079	5281	Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Sunset yellow FCF	E00255	17730	Colorant
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Carmellose sodium	E00625	Not Available	Disintegrant
Crospovidone	E00626	Not Available	Disintegrant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Povidone	E00667	Not Available	Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Vinylpyrrolidone	E00668	Not Available	Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
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⏷ Show the Full List of 11 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Allopurinol 100 mg tablet	100 mg	Oral Tablet	Oral
Allopurinol 300 mg tablet	300 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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