CHEBI:94771 - quisinostat

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ChEBI Name quisinostat
ChEBI ID CHEBI:94771
Definition A member of the class of methylindoles that is 1H-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H26N6O2
Net Charge 0
Average Mass 394.479
Monoisotopic Mass 394.21172
InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
InChIKey PAWIYAYFNXQGAP-UHFFFAOYSA-N
SMILES CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 3.5.1.98 (histone deacetylase) inhibitor
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
autophagy inducer
Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
radiosensitizing agent
A drug that makes increases the sensitivity of tumour cells to radiation therapy.
bone density conservation agent
An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quisinostat (CHEBI:94771) has role antimalarial (CHEBI:38068)
quisinostat (CHEBI:94771) has role antineoplastic agent (CHEBI:35610)
quisinostat (CHEBI:94771) has role autophagy inducer (CHEBI:138880)
quisinostat (CHEBI:94771) has role bone density conservation agent (CHEBI:50646)
quisinostat (CHEBI:94771) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
quisinostat (CHEBI:94771) has role radiosensitizing agent (CHEBI:132992)
quisinostat (CHEBI:94771) is a hydroxamic acid (CHEBI:24650)
quisinostat (CHEBI:94771) is a methylindole (CHEBI:38460)
quisinostat (CHEBI:94771) is a piperidines (CHEBI:26151)
quisinostat (CHEBI:94771) is a pyrimidines (CHEBI:39447)
quisinostat (CHEBI:94771) is a secondary amino compound (CHEBI:50995)
IUPAC Name
N-hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide
INNs Sources
quisinostat WHO MedNet
quisinostat WHO MedNet
quisinostat WHO MedNet
quisinostatum WHO MedNet
Synonyms Sources
JNJ 26481585 DrugBank
JNJ-26481585 DrugBank
JNJ26481585 ChEBI
Manual Xrefs Databases
D10321 KEGG DRUG
DB12985 DrugBank
GOK PDBeChem
LSM-5900 LINCS
Quisinostat Wikipedia
View more database links
Registry Number Type Source
875320-29-9 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
25 June 2024