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Venetoclax | Venetoclax : BH3 mimetic inhibitor of BCL2
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
BCL2
  • Ki:<0.010 nM
  • EC50:4 nM
BH3 mimetic
--

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - BCL-XL: 48 nM, BCL-W: 245 nM; MCL-1: >444 nM

Potency Assay Off-Target:
TR-FRET
Selectivity Assessment Description:
Not available

Potency
Cellular
In Vitro

BCL2

Mode of Action: BH3 mimetic

Structure-Activity-Relationship data available? No

In Vivo Validations

Mouse
Dose: 12.5 mg/kg
Route of delivery: Oral
Organ of interest (O): Hemotological xenografts: RS4;11 cells

Reference: --

Chemical Information

Molecular Formula C45H50ClN7O7S
SMILEs CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
Molecular weight 867.32 Da
AlogP 8.6599
HBond acceptors 14
HBond donors 3
Atoms 111

Vendors

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Expert Reviews

by SERP
(on 11 Apr 2017)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 12 Apr 2017)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 11 Nov 2020)
Cellular Use Rating
In Model Organisms
Early studies with Venetoclax (ABT-199), a potent and selective orally-bioavailable B-cell lymphoma 2 small-molecule inhibitor, which has shown an remarkable response across a number of hematologic...
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