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Compound Detail

CHEMBL13376

CLOMETACIN
💊 Approved Drug
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💊 Approved Drug
COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13376
Name CLOMETACIN
Phase Approved
Structure Type MOL
InChI Key DGMZLCLHHVYDIS-UHFFFAOYSA-N

Known Names

C 1656 C-1656 Clometacin Clometacina Clometacine R 3959 R-3959
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
7
Known Names
1
Mechanisms

Molecular Properties

357.8
MW (Da)
3.93
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Achiral

Flags

Withdrawn
USAN Stem -metacin

Extended Properties

Molecular Formula C19H16ClNO4
MW 357.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.73

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclooxygenase inhibitor INHIBITOR Cyclooxygenase ✓ ✓

Drug Warnings

Withdrawn
hepatotoxicity
Hepatotoxicity
Country: France   Year: 1987
Withdrawn
hepatotoxicity
Hepatotoxicity
Country: France   Year: 1987
Withdrawn
hepatotoxicity
Hepatotoxicity
Country: France   Year: 1987
Withdrawn
hepatotoxicity
Hepatotoxicity
Country: France   Year: 1987

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin-H2 D-isomerase
CHEMBL4334
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin-H2 D-isomerase IC50 = 200.0 nM 6.7 Concentration required to inhibit 50% activity of prostaglandin synthetase was d... 1900533

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
1900533 10.1021/jm00107a034 Prostaglandin-H2 D-isomerase 1
21624500 10.1016/j.drudis.2011.05.007 Hepatotoxicity 1
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 1

Data from ChEMBL 36 via Core Engine