e-Drug3D

1822

VENETOCLAX

INN
VENETOCLAX

cas 1257044-40-8

CLASS

ANTINEOPLASTIC
BCL-2 (B-CELL LYMPHOMA 2) INHIBITOR
TREATMENT OF CHRONIC LYMPHOCYTIC LEUKEMIA (CLL) WITH 17P DELETION

ROUTE (list)

ORAL

ATC code

L01XX52

PK parameters

Tmax 6.5 HOUR
VD 288 LITER
PPB 99.9 PERCENT
t1/2 26 HOUR

Solubility

LOW SOLUBILITY IN WATER

Target

TARGET BCL-2

PDB
6O0K (CRYSTAL STRUCTURE OF BCL-2 WITH VENETOCLAX)

Ligand code = LBM (link to the list of PDB complexes)

Download experimental 3D coordinates of LBM with added hydrogens

DrugCentral

Apoptosis regulator Bcl-2 UNIPROT P10415 BCL2

Download SDF file

Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-

Formula:
C45H50ClN7O7S

Calculated chemical properties:

MW 868.44
NB_atoms 61
XLogP 8.66
PSA 163.33
NB_HD 3
NB_HA 13
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
NDA 208573 (label) INN (VENETOCLAX) VENCLEXTA (ABBVIE) APPROVAL= AP YEAR= 2016
NDA 214733 (pdf not found) INN (VENETOCLAX) VENETOCLAX (DR REDDYS LABS LTD) APPROVAL= TA YEAR= 2025