Compound Detail
CHEMBL49563
alpha-TOCHOPHEROL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL49563 |
| Name | alpha-TOCHOPHEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVJHHUAWPYXKBD-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
8.84
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.1 | 6.34 | 79.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.7 | 4.7 | 19900.0 | 1 |
| Brain CHEMBL613617 | IC50 | 4.45 | 4.45 | 35700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 79.0 | nM | 7.1 | Inhibition of porcine heart malate dehydrogenase preincubated for 5 min followed... | 34812616 |
| Unchecked | IC50 | = | 2614.7 | nM | 5.58 | PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... | - |
| Rattus norvegicus | IC50 | = | 14000.0 | nM | 4.85 | The IC50 value was measured for inhibition of lipid autoxidation in rat brain ho... | 7636848 |
| Radical scavenging activity | EC50 | = | 19900.0 | nM | 4.7 | Antioxidant activity assessed as DPPH free radical scavenging activity | 11076575 |
| Brain | IC50 | = | 35700.0 | nM | 4.45 | Inhibition of Fe2+-induced lipid peroxidation in rat brain homogenate | 18183943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0419-x | Radical scavenging activity | 6 |
| 23707256 | 10.1016/j.bmcl.2013.04.070 | Presenilin-1 | 3 |
| 34812616 | 10.1021/acs.jmedchem.1c01547 | Unchecked | 3 |
| 36346625 | 10.1021/acs.jnatprod.2c00706 | Unchecked | 3 |
| 25599949 | 10.1016/j.ejmech.2015.01.026 | No relevant target | 2 |
| 26143931 | 10.1021/acs.jnatprod.5b00154 | No relevant target | 2 |
| 7636848 | 10.1021/jm00015a010 | Rattus norvegicus | 1 |
| 18183943 | 10.1021/jm070618k | Rattus norvegicus | 1 |
| 18183943 | 10.1021/jm070618k | Brain | 1 |
| 11076575 | 10.1021/np0000421 | Radical scavenging activity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 25599949 | 10.1016/j.ejmech.2015.01.026 | Liver microsome | 1 |
| 33310284 | 10.1016/j.ejmech.2020.113085 | No relevant target | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine