CHEBI:40279 - allopurinol

ChEBI IDCHEBI:40279
ChEBI Nameallopurinol
Stars
DefinitionA bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.
Secondary ChEBI IDsCHEBI:2601, CHEBI:40276
Last Modified22 February 2017
DownloadsMolfile
FormulaC5H4N4O
Net Charge0
Average Mass136.114
Monoisotopic Mass136.03851
SMILESOc1ncnc2nncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyOFCNXPDARWKPPY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
anti-obesity agent  Any substance which is used to reduce or control weight.
antimetabolite  A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
EC 1.17.3.2 (xanthine oxidase) inhibitor  An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).
Applications:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
vulnerary  A drug used in treating and healing of wounds.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
gout suppressant  A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
hypoglycemic agent  A drug which lowers the blood glucose level.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
allopurinol (CHEBI:40279) has parent hydride 1H-pyrazolo[4,3-d]pyrimidine (CHEBI:50092)
allopurinol (CHEBI:40279) has role anti-inflammatory agent (CHEBI:67079)
allopurinol (CHEBI:40279) has role anti-obesity agent (CHEBI:74518)
allopurinol (CHEBI:40279) has role antihypertensive agent (CHEBI:35674)
allopurinol (CHEBI:40279) has role antileishmanial agent (CHEBI:70868)
allopurinol (CHEBI:40279) has role antimetabolite (CHEBI:35221)
allopurinol (CHEBI:40279) has role antineoplastic agent (CHEBI:35610)
allopurinol (CHEBI:40279) has role antipsychotic agent (CHEBI:35476)
allopurinol (CHEBI:40279) has role antitubercular agent (CHEBI:33231)
allopurinol (CHEBI:40279) has role cardiovascular drug (CHEBI:35554)
allopurinol (CHEBI:40279) has role EC 1.17.3.2 (xanthine oxidase) inhibitor (CHEBI:35634)
allopurinol (CHEBI:40279) has role gout suppressant (CHEBI:35845)
allopurinol (CHEBI:40279) has role hepatoprotective agent (CHEBI:62868)
allopurinol (CHEBI:40279) has role hypoglycemic agent (CHEBI:35526)
allopurinol (CHEBI:40279) has role radical scavenger (CHEBI:48578)
allopurinol (CHEBI:40279) has role vulnerary (CHEBI:73336)
allopurinol (CHEBI:40279) is a nucleobase analogue (CHEBI:67142)
allopurinol (CHEBI:40279) is a organic heterobicyclic compound (CHEBI:27171)
Incoming Relation(s)
allopurinol riboside (CHEBI:74074) has functional parent allopurinol (CHEBI:40279)
IUPAC Name 
1H-pyrazolo[3,4-d]pyrimidin-4-ol
Synonyms  Source
1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-oneChemIDplus
1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-oneChemIDplus
1H-Pyrazolo(3,4-d)pyrimidin-4-olChemIDplus
4-HPPNIST Chemistry WebBook
4H-Pyrazolo(3,4-d)pyrimidin-4-oneChemIDplus
4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidineChemIDplus
Brand Names  Source
Allopurinol component of duzalloChEMBL
AloralChEMBL
Aluline 100ChEMBL
Aluline 300ChEMBL
CaplenalChEMBL
CosuricChEMBL
Manual XrefsDatabases
124DrugCentral
AllopurinolWikipedia
D00224KEGG DRUG
DB00437DrugBank
LSM-5919LINCS
Registry NumbersSources
Reaxys:608611Reaxys
CAS:315-30-0KEGG DRUG
CAS:315-30-0NIST Chemistry WebBook
CAS:315-30-0ChemIDplus
Citations