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A-1331852 | Inhibitor of BCL2L1
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
BCL2L1
  • Ki:0.01 nM
  • EC50:6.3 nM
Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
TR-FRET
Selectivity Assessment Description:
Bcl-W 4 nM (Ki), Bcl-2 6 nM (Ki), Mcl-1 142 nM (Ki)
In Cell Selectivity Assessment
Selectivity Assessment Description:
RSA;11 EC50 >5000 nM

Potency
Cellular
In Vitro

BCL2L1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

In Vivo Validations

Mouse, Rat
Dose: 5-30 mg/Kg
Route of delivery: Oral
Plasma half life: 3.9 (R), 2.4 (M) h
Systemic clearance: 0.08 (R), 0.22 (M) L/h/Kg

Reference: --

Orthogonal Probes def

A-1155463
DT-2216
WEHI-539

Chemical Information

Molecular Formula C38H38N6O3S
SMILEs Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)cnn1CC12CC3CC(CC(C3)C1)C2
InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
Molecular weight 658.27 Da
AlogP 7.59282
HBond acceptors 9
HBond donors 2
Atoms 86

References

Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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    Expert Reviews

    by SERP
    (on 20 Mar 2021 )
    Cellular Use Rating
    In Model Organisms
    In vitro selectivity within the target family is good but no wider profiling is available. There are indications on target engagement based on knock-out experiments as measured by cell viability, but...
    by SERP
    (on 24 Mar 2021 )
    Cellular Use Rating
    In Model Organisms
    Targeting BCL´s with a small molecule is challenging. The interaction of Bcl-xL with A-1331852 in complex (PDB: 6VWC) should be added to the review form. There is a significant amount of data showing...
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria