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
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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)
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
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
Search Google for chemical match using the InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N

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CI 994 (links to external site)
Cat. No. 2952