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

CHEMBL3949142

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)C1CC12CCC1(CCN(c3cc(OC(F)(F)F)ccc3Cl)CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3949142
Phase Preclinical
Structure Type MOL
InChI Key URKADBGRJJNSAM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
5.49
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.71
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 C20H23ClF3NO3
MW 417.86
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.27

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
CHEMBL5339
 EC50 5.66 5.535 2200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 4 EC50 = 2200.0 nM 5.66 Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... 28105274
Free fatty acid receptor 4 EC50 = 3900.0 nM 5.41 Agonist activity at ARMS2-PK2 -tagged human GPR120 short isoform expressed in CH... 28105274

Literature References

PubMed DOI Target Context # Activities
28105274 10.1021/acsmedchemlett.6b00360 Free fatty acid receptor 4 2

Data from ChEMBL 36 via Core Engine