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Compound Detail

CHEMBL334590

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Cc1cc(Cl)cc(C(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334590
Phase Preclinical
Structure Type MOL
InChI Key ZQRCPFSOUWSKRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.8
MW (Da)
5.75
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14Cl3NO4S
MW 470.76
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apoptosis regulator Bcl-2
CHEMBL4860
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apoptosis regulator Bcl-2 IC50 = 3300.0 nM 5.48 Inhibitory activity against Bcl-2 11728179

Literature References

PubMed DOI Target Context # Activities
11728179 10.1021/jm010016f Apoptosis regulator Bcl-2 1

Data from ChEMBL 36 via Core Engine