dacinostat   Click here for help

GtoPdb Ligand ID: 7497

Synonyms: LAQ-824 | NVP-LAQ824
Compound class: Synthetic organic
Comment: NVP-LAQ824 is a non-selective histone deacetylase (HDAC) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 88.59
Molecular weight 379.19
XLogP 2.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2
Isomeric SMILES OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1cccc2
InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
InChI Key BWDQBBCUWLSASG-MDZDMXLPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
International Nonproprietary Names Click here for help
INN number INN
8388 dacinostat
Synonyms Click here for help
LAQ-824 | NVP-LAQ824
Database Links Click here for help
CAS Registry No. 404951-53-7
ChEMBL Ligand CHEMBL356066
GtoPdb PubChem SID 187051799
PubChem CID 6445533
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