Compound Detail
CHEMBL1094536
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Basic Information
| ChEMBL ID | CHEMBL1094536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYNMPURVXKKBFJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1096467 |
| Active Moiety | CHEMBL1096467 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.97
ALogP
4
HBA
1
HBD
61.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 30.0 | nM | 7.52 | 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 | 1 |
Data from ChEMBL 36 via Core Engine