Compound Detail
CHEMBL1095541
2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)-1-(1-(4-FLUOROPHENYL)-1H-INDAZOL-5-YL)ETHANOL (DIASTEREOMERIC MIX) Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1095541 |
| Name | 2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)-1-(1-(4-FLUOROPHENYL)-1H-INDAZOL-5-YL)ETHANOL (DIASTEREOMERIC MIX) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMBFENZTPAWDBF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.3
MW (Da)
5.10
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.07 | 6.46 | 86.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 86.0 | nM | 7.07 | Binding affinity to human glucocorticoid receptor by fluorescence polarization c... | 20427184 |
| Glucocorticoid receptor | IC50 | = | 161.0 | nM | 6.79 | Binding affinity to human glucocorticoid receptor by fluorescence polarization c... | 20427184 |
| Glucocorticoid receptor | IC50 | = | 3000.0 | nM | 5.52 | Binding affinity to human glucocorticoid receptor by fluorescence polarization c... | 20427184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20427184 | 10.1016/j.bmcl.2010.04.012 | Glucocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine