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Compound Detail

CHEMBL4093926

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Oc1ccc(Cl)cc1-c1nc2cc(F)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4093926
Phase Preclinical
Structure Type MOL
InChI Key YGSKPYOLWPWBLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.7
MW (Da)
3.73
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8ClFN2O
MW 262.67
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.12 5.12 7650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7650.0 nM 5.12 Inhibition of Wnt/beta-catenin signaling (unknown origin) expressed in HEK293 ce... 28233680

Literature References

PubMed DOI Target Context # Activities
28233680 10.1016/j.bmc.2017.01.046 Unchecked 2

Data from ChEMBL 36 via Core Engine