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Quick search ChEMBL 36
Compound Detail

CHEMBL2152245

DESMETHYLFLURBIPROFEN
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O=C(O)Cc1ccc(-c2ccccc2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152245
Name DESMETHYLFLURBIPROFEN
Phase Preclinical
Structure Type MOL
InChI Key ZLLZRKQQNGBXRD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
3.12
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11FO2
MW 230.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.66

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 2
CHEMBL4321
 IC50 6.96 6.59 110.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 2 IC50 = 110.0 nM 6.96 Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubate... 22984634
Prostaglandin G/H synthase 2 IC50 = 600.0 nM 6.22 Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-... 22984634

Literature References

PubMed DOI Target Context # Activities
22984634 10.1021/ml3001616 Prostaglandin G/H synthase 2 4
22984634 10.1021/ml3001616 Plasma 4

Data from ChEMBL 36 via Core Engine