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

CHEMBL3774784

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
CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3774784
Phase Preclinical
Structure Type MOL
InChI Key USQOVYLRWBOSQC-HNNXBMFYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
5.35
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FNO4
MW 387.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.49

Activity Summary

IC50 3 meas. best 9.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 9.54 9.54 0.3 1
Fatty-acid amide hydrolase 1
CHEMBL3229
 IC50 8.03 8.03 9.4 1
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 0.29 nM 9.54 Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with ... 26774927
Fatty-acid amide hydrolase 1 IC50 = 9.4 nM 8.03 Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 m... 26774927
Prostaglandin G/H synthase 2 IC50 = 50.0 nM 7.3 Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preinc... 26774927

Literature References

PubMed DOI Target Context # Activities
26774927 10.1016/j.ejmech.2015.12.036 Unchecked 21
26774927 10.1016/j.ejmech.2015.12.036 Mus musculus 3
26774927 10.1016/j.ejmech.2015.12.036 Prostaglandin G/H synthase 1 2
26774927 10.1016/j.ejmech.2015.12.036 Thromboxane A2 receptor 2
26774927 10.1016/j.ejmech.2015.12.036 Transient receptor potential cation channel subfamily V member 1 2
26774927 10.1016/j.ejmech.2015.12.036 Prostaglandin G/H synthase 2 2
26774927 10.1016/j.ejmech.2015.12.036 Adenosine receptor A2a 1
26774927 10.1016/j.ejmech.2015.12.036 Transmembrane domain-containing protein TMIGD3 1
26774927 10.1016/j.ejmech.2015.12.036 Adrenergic receptor alpha-1 1
26774927 10.1016/j.ejmech.2015.12.036 Adrenergic receptor alpha-2 1
26774927 10.1016/j.ejmech.2015.12.036 Beta-1 adrenergic receptor 1
26774927 10.1016/j.ejmech.2015.12.036 Beta-2 adrenergic receptor 1
26774927 10.1016/j.ejmech.2015.12.036 Type-1 angiotensin II receptor 1
26774927 10.1016/j.ejmech.2015.12.036 Type-2 angiotensin II receptor 1
26774927 10.1016/j.ejmech.2015.12.036 Adenosine receptor A1 1
26774927 10.1016/j.ejmech.2015.12.036 B1 bradykinin receptor 1
26774927 10.1016/j.ejmech.2015.12.036 B2 bradykinin receptor 1
26774927 10.1016/j.ejmech.2015.12.036 Adenylate cyclase 1
26774927 10.1016/j.ejmech.2015.12.036 Cannabinoid receptor 1 1
26774927 10.1016/j.ejmech.2015.12.036 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine