Compound Detail
CHEMBL87570
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Basic Information
| ChEMBL ID | CHEMBL87570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYNIOWJSSKCSFL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.35
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.3 | 6.23 | 500.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 500.0 | nM | 6.3 | Compound was evaluated for prevention of spontaneous lipid peroxidation in rat b... | 1992125 |
| Rattus norvegicus | IC50 | = | 700.0 | nM | 6.16 | The IC50 value was measured for inhibition of lipid autoxidation in rat brain ho... | 7636848 |
| Mus musculus | IC50 | = | 19000.0 | nM | 4.72 | 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 |
| 1992125 | 10.1021/jm00105a040 | No relevant target | 1 |
| 1992125 | 10.1021/jm00105a040 | Rattus norvegicus | 1 |
| 7636848 | 10.1021/jm00015a010 | Rattus norvegicus | 1 |
| 7636848 | 10.1021/jm00015a010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine