N-HYDROXY-9-(4-METHOXYPHENYL)-9-OXONONANAMIDE

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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 ILTRBNSMBUJQKJ-UHFFFAOYSA-N
Smiles COc1ccc(cc1)C(=O)CCCCCCCC(=O)NO
InChI
InChI=1S/C16H23NO4/c1-21-14-11-9-13(10-12-14)15(18)7-5-3-2-4-6-8-16(19)17-20/h9-12,20H,2-8H2,1H3,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO4
Molecular Weight 293.36
AlogP 3.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 75.63
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 15 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2235257
PubChem 76315182
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