Pracinostat
(E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
Molecular Identity
Pracinostat
(E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID: 49855250
Pracinostat is 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. It has a role as an antineoplastic agent, an antimalarial, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a hydroxamic acid, a benzimidazole, a tertiary amino compound and an olefinic compound.
2D Structure
Properties
C20H30N4O2
Molecular Formula
358.50
Molecular Weight
g/mol
358.2369
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
70.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
453
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pracinostat929016-96-6SB939SB 939SB-939pracinostatumGPO2JN4UONCHEBI:95071DTXSID002391962-Propenamide, 3-(2-butyl-1-(2-(diethylamino)ethyl)-1H-benzimidazol-5-yl)-N-hydroxy-, (2E)-(2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide(2E)-3-(2-butyl-1-(2-(diethylamino)ethyl)-1H-1,3-benzodiazol-5-yl)-N-hydroxyprop-2-enamideRefChem:175687HDAC Inhibitor SB939DTXCID20161687
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pracinostat
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