e-Drug3D

948

VORINOSTAT

INN
VORINOSTAT

cas 149647-78-9

CLASS

ANTINEOPLASTIC AGENTS
HISTONE DEACETYLASES HDAC1, HDAC2 AND HDAC3 (CLASS I) AND HDAC6 (CLASS II) AT NANOMOLAR CONCENTRATIONS (IC50<86 NM)

ROUTE (list)

ORAL

ATC code

L01XH01

PK parameters

Tmax 4 HOUR
VD 32.5 LITER (65 KILOGRAM)
Cl 109 LITER / HOUR (65 KILOGRAM)
PPB 71 PERCENT
t1/2 2 HOUR

Solubility

SLIGHTLY SOLUBLE IN WATER

Target

TARGET HISTONE DEACETYLASE

PDB
4QA2 (CRYSTAL STRUCTURE OF I243N HDAC8 IN COMPLEX WITH SAHA)

Download experimental 3D coordinates of SHH with added hydrogens

Histone deacetylase 2 UNIPROT Q92769 HDAC2

Histone deacetylase 1 UNIPROT Q13547 HDAC1

Download SDF file

N'-hydroxy-N-phenyloctanediamide

Formula:
C14H20N2O3

Calculated chemical properties:

MW 264.32
NB_atoms 19
XLogP 2.47
PSA 80.643
NB_HD 3
NB_HA 5
fsp3 0.43
Lipinski(0=no;1=yes) 1

FDA
NDA 021991 (label) INN (VORINOSTAT) ZOLINZA (MSD SUB MERCK) APPROVAL= AP YEAR= 2006