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

CHEMBL1688452

BENZYLOXYPHENYLPROPANOIC ACID
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(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688452
Name BENZYLOXYPHENYLPROPANOIC ACID
Phase Preclinical
Structure Type MOL
InChI Key QTSAUVQZNADEKS-UHFFFAOYSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.28
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.86
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 C16H16O3
MW 256.30
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.22

Activity Summary

EC50 6 meas. best 6.34
Ki 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
 EC50 6.34 6.246 457.1 5
Free fatty acid receptor 4
CHEMBL5339
 EC50 4.93 4.93 11749.0 1
Free fatty acid receptor 1
CHEMBL4422
 Ki 4.86 4.86 13803.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 457.09 nM 6.34 Agonist activity at human FFA1 transfected in 1321N1 cells assessed as calcium m... 24900217
Free fatty acid receptor 1 EC50 = 510.0 nM 6.29 Agonist activity against human GPR40 expressed in CHO cells assessed as increase... 21319751
Free fatty acid receptor 1 EC50 = 549.54 nM 6.26 Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin r... 22519963
Free fatty acid receptor 1 EC50 = 549.54 nM 6.26 Agonist activity at human C-terminal eYFP-tagged FFA1 receptor expressed in HEK-... 27074625
Free fatty acid receptor 1 EC50 = 831.76 nM 6.08 Agonist activity at human FFA1 transfected in 1321N1 cells under serum-free cond... 24900217
Free fatty acid receptor 4 EC50 = 11748.98 nM 4.93 Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin ... 22519963
Free fatty acid receptor 1 Ki = 13803.84 nM 4.86 Displacement of 3-(2-Fluoro-4-((2'-methyl-4'-(2-(2-((7-nitrobenzo[c][1,2,5]-oxad... 27074625

Literature References

PubMed DOI Target Context # Activities
24900217 10.1021/ml100106c Free fatty acid receptor 1 3
27074625 10.1021/acs.jmedchem.6b00202 Free fatty acid receptor 1 3
24900217 10.1021/ml100106c Peroxisome proliferator-activated receptor gamma 2
22519963 10.1021/jm300215x Free fatty acid receptor 4 2
22519963 10.1021/jm300215x Free fatty acid receptor 1 2
21319751 10.1021/jm101405t Free fatty acid receptor 1 1
21319751 10.1021/jm101405t No relevant target 1
24900217 10.1021/ml100106c Free fatty acid receptor 3 1
24900217 10.1021/ml100106c Free fatty acid receptor 2 1

Data from ChEMBL 36 via Core Engine