Compound Detail
CHEMBL182827
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C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(Oc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL182827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAFWSQNDMVDZPJ-WTCQQWISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
7.28
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL3368 | IC50 | 7.81 | 7.81 | 15.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 15.5 | nM | 7.81 | Inhibition against U2OS cells expressing rat Glucocorticoid receptor | 15380227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380227 | 10.1016/j.bmcl.2004.07.052 | Glucocorticoid receptor | 5 |
Data from ChEMBL 36 via Core Engine