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

CHEMBL441414

LOXOPROFEN TRANS ALCOHOL
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
C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441414
Name LOXOPROFEN TRANS ALCOHOL
Phase Preclinical
Structure Type MOL
InChI Key SHAHPWSYJFYMRX-GDLCADMTSA-N

Known Names

Loxoprofen trans alcohol
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names

Molecular Properties

248.3
MW (Da)
2.58
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown
USAN Stem -profen

Extended Properties

Molecular Formula C15H20O3
MW 248.32
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.92

Activity Summary

IC50 10 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome c oxidase subunit 2
CHEMBL6174
 IC50 7.58 6.8367 26.0 3
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 6.55 6.425 280.0 2
Cytochrome c oxidase subunit 1
CHEMBL6173
 IC50 6.55 6.2267 280.0 3
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 6.52 6.465 300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome c oxidase subunit 2 IC50 = 26.0 nM 7.58 Inhibition of human recombinant COX-2 using [1-14C] arachidonic acid as substrat... 35339101
Prostaglandin G/H synthase 1 IC50 = 280.0 nM 6.55 Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood ass... 14980665
Cytochrome c oxidase subunit 1 IC50 = 280.0 nM 6.55 Inhibition of COX-1 in human whole blood assessed as reduction in thromboxane B2... 35339101
Prostaglandin G/H synthase 2 IC50 = 300.0 nM 6.52 Inhibitory potency against cyclooxygenase-2 in human whole blood assay 14980665
Cytochrome c oxidase subunit 2 IC50 = 300.0 nM 6.52 Inhibition of COX-2 in LPS-stimulated human whole blood assessed as reduction in... 35339101
Prostaglandin G/H synthase 2 IC50 = 390.0 nM 6.41 Inhibitory activity against recombinant human Prostaglandin G/H synthase 2 14980665
Cytochrome c oxidase subunit 2 IC50 = 390.0 nM 6.41 Inhibition of human recombinant COX-2 using arachidonic acid as substrate preinc... 35339101
Prostaglandin G/H synthase 1 IC50 = 500.0 nM 6.3 Inhibitory activity against recombinant human prostaglandin G/H synthase 1 14980665
Cytochrome c oxidase subunit 1 IC50 = 500.0 nM 6.3 Inhibition of human recombinant COX-1 using arachidonic acid as substrate preinc... 35339101
Cytochrome c oxidase subunit 1 IC50 = 1470.0 nM 5.83 Inhibition of human recombinant COX-1 using [1-14C] arachidonic acid as substrat... 35339101

Literature References

PubMed DOI Target Context # Activities
35339101 10.1016/j.ejmech.2022.114258 Cytochrome c oxidase subunit 1 3
35339101 10.1016/j.ejmech.2022.114258 Cytochrome c oxidase subunit 2 3
14980665 10.1016/j.bmcl.2003.12.047 Prostaglandin G/H synthase 2 2
14980665 10.1016/j.bmcl.2003.12.047 Prostaglandin G/H synthase 1 2

Data from ChEMBL 36 via Core Engine