Compound Detail
CHEMBL189171
ACEMETACIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL189171 |
| Name | ACEMETACIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FSQKKOOTNAMONP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
2
Assay Types
1
PK Parameters
20
Publications
6
Known Names
1
Indications
1
Mechanisms
Molecular Properties
415.8
MW (Da)
3.47
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Rheumatic Diseases
ATC Classification
M01AB11
acemetacin
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Activity Summary
IC50 2 meas. best 8.0
Ki 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | Ki | 4.89 | 4.6 | 12900.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of COX1 (unknown origin) | 38516587 |
| Prostaglandin G/H synthase 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincu... | 38516587 |
| Lactoylglutathione lyase | Ki | = | 12900.0 | nM | 4.89 | Inhibition of glyoxalase 1 | 21237663 |
| Lactoylglutathione lyase | Ki | = | 49000.0 | nM | 4.31 | Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia... | 21237663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 346 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 21237663 | 10.1016/j.bmc.2010.12.039 | Lactoylglutathione lyase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine