N-HYDROXY-8-OXO-8-PHENYLOCTANAMIDE

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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 DPHGSTLAQCKOFV-UHFFFAOYSA-N
Smiles ONC(=O)CCCCCCC(=O)c1ccccc1
InChI
InChI=1S/C14H19NO3/c16-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)15-18/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19NO3
Molecular Weight 249.31
AlogP 2.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 66.4
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 500 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 500 - - -

Cross References

Resources Reference
ChEMBL CHEMBL95959
PubChem 11075845
SureChEMBL SCHEMBL3383197
CONTENTS