Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key NYORQUCSPQVLTE-UHFFFAOYSA-N
Smile NC(=O)C1CCCC2c3cc(Cl)ccc3NC12
InChI
InChI=1S/C13H15ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,8-9,12,16H,1-3H2,(H2,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H15ClN2O
Molecular Weight 250.73
AlogP 2.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 55.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 20000-49000 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL382277
SureChEMBL SCHEMBL18134580