Chemical Probes logo
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
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
BCL2L1
  • Ki:0.01 nM
  • EC50:6.3 nM
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 7.592820000000006
HBond acceptors 9
HBond donors 2
Atoms 86

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the Portal.

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...
If you would like to explore AI-generated evaluations, you may wish to visit the page for this compound on our collaborator website
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