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
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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+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey JHDKZFFAIZKUCU-ZRDIBKRKSA-N
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UniChem Compound Search for chemical match using the InChIKey JHDKZFFAIZKUCU-ZRDIBKRKSA-N
UniChem Connectivity Search for chemical match using the InChIKey JHDKZFFAIZKUCU-ZRDIBKRKSA-N
Wikipedia Pracinostat