Compound Detail
CHEMBL101229
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Basic Information
| ChEMBL ID | CHEMBL101229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXIOYQBKPQECOU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
6.49
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sus scrofa CHEMBL613488 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sus scrofa | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of Cu2+ catalyzed LDL oxidation | 1656041 |
| Rattus norvegicus | IC50 | = | 2800.0 | nM | 5.55 | In vitro inhibition of microsomal lipid peroxidation | 1656041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1656041 | 10.1021/jm00114a004 | Rattus norvegicus | 3 |
| 1656041 | 10.1021/jm00114a004 | Sus scrofa | 2 |
Data from ChEMBL 36 via Core Engine