pracinostat   Click here for help

GtoPdb Ligand ID: 8365

Synonyms: SB 939 | SB-939
Compound class: Synthetic organic
Comment: Pracinostat is an orally available, potent pan-HDAC inhibitor [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 70.39
Molecular weight 358.24
XLogP 3.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)C=CC(=O)NO
Isomeric SMILES CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO
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+
InChI Key JHDKZFFAIZKUCU-ZRDIBKRKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide
International Nonproprietary Names Click here for help
INN number INN
9386 pracinostat
Synonyms Click here for help
SB 939 | SB-939
Database Links Click here for help
CAS Registry No. 929016-96-6
ChEMBL Ligand CHEMBL1851943
GtoPdb PubChem SID 252166577
PubChem CID 49855250
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Wikipedia Pracinostat