Venetoclax
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular Identity
Venetoclax
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
PubChem CID: 49846579
Venetoclax is a member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. It has a role as a B-cell lymphoma 2 inhibitor, an antineoplastic agent and an apoptosis inducer. It is an aromatic ether, a C-nitro compound, a pyrrolopyridine, a N-alkylpiperazine, a N-arylpiperazine, a member of oxanes, a member of monochlorobenzenes and a N-sulfonylcarboxamide.
2D Structure
Properties
C45H50ClN7O7S
Molecular Formula
868.40
Molecular Weight
g/mol
867.3181
Exact Mass
Da
8.2
XLogP
Above Lipinski threshold
183
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1640
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Venetoclax1257044-40-8ABT-199VenclextaGDC-0199ABT199venclyxtoABT 199RG7601GDC 0199RG-7601N54AIC43PW4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamideBenzamide, 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)-CHEBI:133021
Data from PubChem (NCBI)
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