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Compound Detail

CHEMBL3604907

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O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604907
Phase Preclinical
Structure Type MOL
InChI Key UUBDDXVIBHRKGI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.1
MW (Da)
4.27
ALogP
4
HBA
0
HBD
52.2
PSA (Ų)
0.64
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 C15H6Cl2F3NO3
MW 376.12
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 6.48 6.48 330.0 1
HCT-116
CHEMBL394
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 330.0 nM 6.48 Inhibition of Wnt/beta-catenin in HEK293 cells assessed as inhibition of Wnt3A-s... 26272032
HCT-116 IC50 = 550.0 nM 6.26 Cytotoxicity against human HCT116 cells assessed as growth inhibition after 72 h... 26272032

Literature References

PubMed DOI Target Context # Activities
26272032 10.1016/j.bmc.2015.07.001 HCT-116 2
26272032 10.1016/j.bmc.2015.07.001 Unchecked 1
26272032 10.1016/j.bmc.2015.07.001 HEK293 1
26272032 10.1016/j.bmc.2015.07.001 Plasma 1

Data from ChEMBL 36 via Core Engine