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Compound Detail

CHEMBL2316722

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O=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316722
Phase Preclinical
Structure Type MOL
InChI Key RONMYAFEDUQUDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.6
MW (Da)
4.52
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8Cl3NO2
MW 352.60
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA repair protein RAD51 homolog 1
CHEMBL2034807
 IC50 6.03 6.03 930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA repair protein RAD51 homolog 1 IC50 = 930.0 nM 6.03 Inhibition of human RAD51 binding to single stranded DNA by fluorescence polariz... 23231413

Literature References

PubMed DOI Target Context # Activities
23231413 10.1021/jm301565b HEK293 2
23231413 10.1021/jm301565b DNA repair protein RAD51 homolog 1 1

Data from ChEMBL 36 via Core Engine