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CHEBI:90998 - alvocidib hydrochloride

ChEBI IDCHEBI:90998
ChEBI Namealvocidib hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.
Last Modified21 January 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H20ClNO5.HCl
Net Charge0
Average Mass438.307
Monoisotopic Mass437.07968
SMILESCN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl
InChIInChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
InChIKeyLGMSNQNWOCSPIK-LWHGMNCYSA-N
Roles Classification
Biological Roles:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
alvocidib hydrochloride (CHEBI:90998) has part alvocidib(1+) (CHEBI:90997)
alvocidib hydrochloride (CHEBI:90998) has role antineoplastic agent (CHEBI:35610)
alvocidib hydrochloride (CHEBI:90998) has role antirheumatic drug (CHEBI:35842)
alvocidib hydrochloride (CHEBI:90998) has role apoptosis inducer (CHEBI:68495)
alvocidib hydrochloride (CHEBI:90998) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
alvocidib hydrochloride (CHEBI:90998) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one hydrochloride
Synonyms  Source
HMR 1275ChemIDplus
HL 275ChemIDplus
HL-275ChemIDplus
HMR-1275ChemIDplus
L 86 8275ChemIDplus
L86-8275ChemIDplus
Manual XrefsDatabases
D02880KEGG DRUG
DB03496DrugBank
Registry NumbersSources
CAS:131740-09-5ChemIDplus
Citations