Compound Detail
CHEMBL203266
TRIMETAZIDINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL203266 |
| Name | TRIMETAZIDINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | UHWVSEOVJBQKBE-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
9
Indications
Molecular Properties
266.3
MW (Da)
1.12
ALogP
5
HBA
1
HBD
43.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases Cardiomyopathy, Hypertrophic Cardiotoxicity Diabetic Nephropathies Hypertension, Pulmonary Non-alcoholic Fatty Liver Disease Acute-On-Chronic Liver Failure Heart Failure Peripheral Nervous System Diseases
ATC Classification
C01EB15
trimetazidine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 5.89 | 5.89 | 1300.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
| KB CHEMBL398 | IC50 | 4.33 | 4.33 | 47100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of CPT1A in rat myocardium | 21504156 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of rat CPT1B | 38621327 |
| Unchecked | IC50 | = | 20500.0 | nM | 4.69 | Inhibition of human FAO | 21504156 |
| KB | IC50 | = | 47100.0 | nM | 4.33 | Cytotoxicity in human KB cells | 21504156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.5281/zenodo.13943903 | ADMET | 89 |
| 31158845 | 10.1038/s41586-019-1291-3 | ADMET | 70 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 21504156 | 10.1021/jm100809g | Carnitine O-palmitoyltransferase 1, muscle isoform | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 21504156 | 10.1021/jm100809g | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine