pracinostat (CHEBI:95071)

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ChEBI Name	pracinostat

ChEBI ID	CHEBI:95071

Definition	A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C20H30N4O2

Net Charge

Average Mass

358.486

Monoisotopic Mass

358.23688

InChI

InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+

InChIKey

JHDKZFFAIZKUCU-ZRDIBKRKSA-N

SMILES

CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)/C=C/C(=O)NO

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). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. 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. 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.

ChEBI Ontology
Outgoing	pracinostat (CHEBI:95071) has role antimalarial (CHEBI:38068) pracinostat (CHEBI:95071) has role antineoplastic agent (CHEBI:35610) pracinostat (CHEBI:95071) has role apoptosis inducer (CHEBI:68495) pracinostat (CHEBI:95071) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) pracinostat (CHEBI:95071) is a benzimidazole (CHEBI:36622) pracinostat (CHEBI:95071) is a hydroxamic acid (CHEBI:24650) pracinostat (CHEBI:95071) is a olefinic compound (CHEBI:78840) pracinostat (CHEBI:95071) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

(2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide

Registry Number	Type	Source
929016-96-6	CAS Registry Number	ChemIDplus

Last Modified

13 November 2019