Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3604904

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604904
Phase Preclinical
Structure Type MOL
InChI Key JLEFGNVBWPKJOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.2
MW (Da)
5.19
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Cl2F3NO3
MW 392.16
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 IC50 = 320.0 nM 6.5 Inhibition of Wnt/beta-catenin in HEK293 cells assessed as inhibition of Wnt3A-s... 26272032

Literature References

PubMed DOI Target Context # Activities
26272032 10.1016/j.bmc.2015.07.001 Unchecked 1
26272032 10.1016/j.bmc.2015.07.001 HEK293 1

Data from ChEMBL 36 via Core Engine