CHEBI:90998 - alvocidib hydrochloride

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ChEBI Name alvocidib hydrochloride
ChEBI ID CHEBI:90998
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H21Cl2NO5
Net Charge 0
Average Mass 438.302
Monoisotopic Mass 437.080
InChI InChI=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
InChIKey LGMSNQNWOCSPIK-LWHGMNCYSA-N
SMILES Cl.C=12OC(=CC(C1C(=CC(=C2[C@@H]3[C@@H](CN(CC3)C)O)O)O)=O)C4=C(C=CC=C4)Cl
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
antirheumatic drug
A drug used to treat rheumatoid arthritis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium chloride IUPAC
alvocidib HCl ChEBI
HL 275 ChemIDplus
HL-275 ChemIDplus
HMR 1275 ChemIDplus
HMR-1275 ChemIDplus
L 86 8275 ChemIDplus
L86-8275 ChemIDplus
Manual Xrefs Databases
D02880 KEGG DRUG
DB03496 DrugBank
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Registry Number Type Source
131740-09-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1279187 PubMed citation Europe PMC
21541623 PubMed citation Europe PMC
21556497 PubMed citation Europe PMC
8002990 PubMed citation Europe PMC
8250970 PubMed citation Europe PMC
9269999 PubMed citation Europe PMC
9815683 PubMed citation Europe PMC
Last Modified
21 January 2016