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Compound Detail

CHEMBL2316723

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O=C1C(Cl)=C(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316723
Phase Preclinical
Structure Type MOL
InChI Key FGKRMUDQFGRDIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
5.54
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H7Cl3F3NO2
MW 420.60
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA repair protein RAD51 homolog 1
CHEMBL2034807
 IC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA repair protein RAD51 homolog 1 IC50 = 810.0 nM 6.09 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