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Compound Detail

CHEMBL1271992

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O=C1C(Cl)=C(NCc2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1271992
Phase Preclinical
Structure Type MOL
InChI Key XSOMTERRMCAGSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.6
MW (Da)
4.11
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11Cl3N2O2
MW 381.65
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 4.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-related protein A1
CHEMBL1293239
 IC50 4.13 4.13 73700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-2-related protein A1 IC50 = 73700.0 nM 4.13 PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... -

Literature References

PubMed DOI Target Context # Activities
20933419 10.1016/j.bmcl.2010.09.046 Bcl-2-related protein A1 2

Data from ChEMBL 36 via Core Engine