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

CHEMBL2386364

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)CCc1ccc(C#Cc2cc(F)ccc2C(F)F)cc1F

Basic Information

ChEMBL ID CHEMBL2386364
Phase Preclinical
Structure Type MOL
InChI Key NTIPATIJADYXAU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
4.32
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12F4O2
MW 336.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.07

Activity Summary

EC50 2 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 7.74 7.74 18.2 1
Free fatty acid receptor 4
CHEMBL5339
EC50 5.93 5.93 1174.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23687558 10.1021/ml4000673 Free fatty acid receptor 4 2
23687558 10.1021/ml4000673 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine