Compound Detail
CHEMBL440885
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Basic Information
| ChEMBL ID | CHEMBL440885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBCXEQPYLSVCON-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185907 |
| Active Moiety | CHEMBL1185907 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.70
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 2000.0 | nM | 5.7 | The IC50 value was measured for inhibition of lipid autoxidation in rat brain ho... | 7636848 |
| Mus musculus | IC50 | = | 10000.0 | nM | 5.0 | The in vitro IC50 value was measured for inhibition of lipid autoxidation in mou... | 7636848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636848 | 10.1021/jm00015a010 | Mus musculus | 2 |
| 7636848 | 10.1021/jm00015a010 | Rattus norvegicus | 1 |
| 7636848 | 10.1021/jm00015a010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine