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Compound Detail

CHEMBL259972

MOFEZOLAC
💊 Approved Drug
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💊 Approved Drug
COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259972
Name MOFEZOLAC
Phase Approved
Structure Type MOL
InChI Key DJEIHHYCDCTAAH-UHFFFAOYSA-N

Known Names

Mofezolac Mofezolaco
6
Targets
13
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Mechanisms

Molecular Properties

339.4
MW (Da)
3.65
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1994
Availability Unknown
Chirality Achiral

Routes of Administration

Oral
USAN Stem -ac

Extended Properties

Molecular Formula C19H17NO5
MW 339.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.30

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclooxygenase-1 inhibitor INHIBITOR Prostaglandin G/H synthase 1 ✓ ✓

Activity Summary

IC50 13 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 8.85 8.6 1.4 3
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 8.85 8.208 1.4 5
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 6.36 6.36 440.0 2
Prostaglandin G/H synthase 2
CHEMBL4102
 IC50 6.36 6.36 440.0 1
Platelet
CHEMBL4296519
 IC50 6.35 6.35 450.0 1
Plasma
CHEMBL613424
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 1.4 nM 8.85 Inhibition of COX1 18363350
Prostaglandin G/H synthase 1 IC50 = 1.4 nM 8.85 Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachi... 25768707
Prostaglandin G/H synthase 1 IC50 = 1.4 nM 8.85 Inhibition of COX1 (unknown origin) 34055228
Prostaglandin G/H synthase 1 IC50 = 7.9 nM 8.1 Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate ... 28710965
Prostaglandin G/H synthase 1 IC50 = 7.9 nM 8.1 Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD us... 29032033
Prostaglandin G/H synthase 1 IC50 = 7.9 nM 8.1 Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric ass... 30590258
Prostaglandin G/H synthase 1 IC50 = 8.0 nM 8.1 Inhibition of ovine COX-1 by colorimetric assay 38219659
Prostaglandin G/H synthase 1 IC50 = 13.0 nM 7.89 Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid... 33129592
Prostaglandin G/H synthase 2 IC50 = 440.0 nM 6.36 Inhibition of COX2 18363350
Prostaglandin G/H synthase 2 IC50 = 440.0 nM 6.36 Inhibition of ovine COX-2 assessed as inhibition of PGH2 production using arachi... 25768707
Prostaglandin G/H synthase 2 IC50 = 440.0 nM 6.36 Inhibition of COX2 (unknown origin) 34055228
Platelet IC50 = 450.0 nM 6.35 Antiplatelet activity in human platelet rich plasma assessed as inhibition of ar... 30590258
Plasma IC50 = 450.0 nM 6.35 Antiplatelet activity in human platelet-rich plasma assessed as inhibition of ar... 33129592

Literature References

PubMed DOI Target Context # Activities
30590258 10.1016/j.ejmech.2018.12.029 NCI-H929 12
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
30590258 10.1016/j.ejmech.2018.12.029 RPMI-8226 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
30590258 10.1016/j.ejmech.2018.12.029 ADMET 6
33129592 10.1016/j.ejmech.2020.112919 ADMET 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
33129592 10.1016/j.ejmech.2020.112919 Plasma 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
29032033 10.1016/j.ejmech.2017.09.066 Solute carrier family 2, facilitated glucose transporter member 1 3
29032033 10.1016/j.ejmech.2017.09.066 Caco-2 3
29032033 10.1016/j.ejmech.2017.09.066 Prostaglandin G/H synthase 1 3
30590258 10.1016/j.ejmech.2018.12.029 Plasma 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
33129592 10.1016/j.ejmech.2020.112919 Vero 2
29032033 10.1016/j.ejmech.2017.09.066 Prostaglandin G/H synthase 2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine