N-HYDROXY-3-(4'-HYDROXYBIPHENYL-4-YL)PROPANAMIDE

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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 BAVCWBNKXZAMDE-UHFFFAOYSA-N
Smiles ONC(=O)CCc1ccc(cc1)c2ccc(O)cc2
InChI
InChI=1S/C15H15NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-2,4-9,17,19H,3,10H2,(H,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15NO3
Molecular Weight 257.28
AlogP 2.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 69.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 1700 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1700 - - -

Cross References

Resources Reference
ChEMBL CHEMBL551151
PubChem 42630929
SureChEMBL SCHEMBL3291686
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