(E)-N-HYDROXY-3-[4-(3-TRIFLUOROMETHYL-BENZENESULFONYLAMINO)-PHENYL]-ACRYLAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key PDIYZRMQLKPNAP-RMKNXTFCSA-N
Smiles ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
InChI
InChI=1S/C16H13F3N2O4S/c17-16(18,19)12-2-1-3-14(10-12)26(24,25)21-13-7-4-11(5-8-13)6-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13F3N2O4S
Molecular Weight 386.35
AlogP 2.74
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 103.88
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 100 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 100 - - -

Cross References

Resources Reference
ChEMBL CHEMBL95195
PubChem 22986780
SureChEMBL SCHEMBL5020633
CONTENTS