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Compound Detail

CHEMBL1609107

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Cc1ccc2c(c1)C(=O)CC(O)(C(F)(F)F)O2

Basic Information

ChEMBL ID CHEMBL1609107
Phase Preclinical
Structure Type MOL
InChI Key ZQFJSMRUMUXVGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.2
MW (Da)
2.21
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9F3O3
MW 246.18
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA repair protein RAD52 homolog
CHEMBL2362978
IC50 6.03 6.03 938.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine