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Compound Detail

CHEMBL3393653

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Cn1c(Cl)c(Cl)c(-n2c(C(=O)c3ccccc3O)cc(Cl)c2Cl)c1C(=O)c1ccccc1O

Basic Information

ChEMBL ID CHEMBL3393653
Phase Preclinical
Structure Type MOL
InChI Key FUVCTKKHFRCPPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.2
MW (Da)
6.30
ALogP
6
HBA
2
HBD
84.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14Cl4N2O4
MW 524.19
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-xL/Bcl-2-like protein 11
CHEMBL3883287
IC50 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-xL/Bcl-2-like protein 11 IC50 = 7900.0 nM 5.1 Inhibition of Bcl-xL/Bim (unknown origin) by ELISA 25437618

Literature References

PubMed DOI Target Context # Activities
25437618 10.1016/j.ejmech.2014.11.035 Induced myeloid leukemia cell differentiation protein Mcl-1/Bcl-2-like protein 11 1
25437618 10.1016/j.ejmech.2014.11.035 Bcl-xL/Bcl-2-like protein 11 1

Data from ChEMBL 36 via Core Engine