Compound Detail
CHEMBL2092916
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Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC[S+](C)C)O2.Cc1ccc(S(=O)(=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL2092916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFBALKLCAYCWJH-UNTBIKODSA-N |
| Parent Compound | CHEMBL2109961 |
| Active Moiety | CHEMBL2109961 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.5
MW (Da)
3.67
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636848 | 10.1021/jm00015a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine