tacedinaline   Click here for help

GtoPdb Ligand ID: 8367

Synonyms: CI-994 | CI994
Compound class: Synthetic organic
Comment: Tacedinaline inhibits the histone deacetylase enzyme HDAC1 [6], and is reported to have antitumour activity in preclinical studies [2,4-5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 84.22
Molecular weight 269.12
XLogP 1.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Isomeric SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChI Key VAZAPHZUAVEOMC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-acetamido-N-(2-aminophenyl)benzamide
International Nonproprietary Names Click here for help
INN number INN
8328 tacedinaline
Synonyms Click here for help
CI-994 | CI994
Database Links Click here for help
CAS Registry No. 112522-64-2 (source: Scifinder)
ChEMBL Ligand CHEMBL235191
GtoPdb PubChem SID 252166579
PubChem CID 2746
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Tocris
CI 994
Cat. No. 2952