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

CHEMBL4783190

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(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783190
Phase Preclinical
Structure Type MOL
InChI Key ZINQKEIMTDJCFG-UHFFFAOYSA-N
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
5.98
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30FNO3
MW 471.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.46

Activity Summary

EC50 5 meas. best 7.5
Kd 1 meas. best 7.24
Ki 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL5411
 EC50 7.5 7.5 32.0 1
Free fatty acid receptor 1
CHEMBL4422
 EC50 7.41 6.8767 39.0 3
Free fatty acid receptor 1
CHEMBL4422
 Kd 7.24 7.24 58.0 1
Free fatty acid receptor 1
CHEMBL4422
 Ki 7.17 7.17 68.0 1
Free fatty acid receptor 1
CHEMBL1795180
 EC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 32.0 nM 7.5 Agonist activity at Prolink-tagged mouse GPR40 fused with EA-tagged beta-arresti... 27749056
Free fatty acid receptor 1 EC50 = 39.0 nM 7.41 Agonist activity at human recombinant full length GPR40 overexpressed in human H... 27749056
Free fatty acid receptor 1 Kd = 58.0 nM 7.24 Displacement of [3H]-(S)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)bip... 27749056
Free fatty acid receptor 1 Ki = 68.0 nM 7.17 Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed ... 27749056
Free fatty acid receptor 1 EC50 = 160.0 nM 6.8 Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin ... 27749056
Free fatty acid receptor 1 EC50 = 180.0 nM 6.75 Agonist activity at human recombinant full length GPR40 overexpressed in human H... 27749056
Free fatty acid receptor 1 EC50 = 340.0 nM 6.47 Agonist activity at human recombinant full-length Prolink-tagged GPR40 fused wit... 27749056

Literature References

PubMed DOI Target Context # Activities
27749056 10.1021/acs.jmedchem.6b00892 Free fatty acid receptor 1 16
27749056 10.1021/acs.jmedchem.6b00892 No relevant target 2
27749056 10.1021/acs.jmedchem.6b00892 Mus musculus 1
27749056 10.1021/acs.jmedchem.6b00892 ADMET 1
27749056 10.1021/acs.jmedchem.6b00892 Peroxisome proliferator-activated receptor alpha 1
27749056 10.1021/acs.jmedchem.6b00892 Peroxisome proliferator-activated receptor delta 1
27749056 10.1021/acs.jmedchem.6b00892 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine