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

CHEMBL3943430

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
O=C(O)CCCOc1ccc(-c2ccccc2C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL3943430
Phase Preclinical
Structure Type MOL
InChI Key MJRMAEQWKBQUGE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
4.62
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F3O3
MW 324.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.63

Activity Summary

EC50 2 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 4
CHEMBL2052036
EC50 5.66 5.66 2189.0 1
Free fatty acid receptor 4
CHEMBL5339
EC50 5.09 5.09 8174.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27815121 10.1016/j.bmcl.2016.10.054 Free fatty acid receptor 4 4
27815121 10.1016/j.bmcl.2016.10.054 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine