Compound Detail
CHEMBL2023233
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COc1ccc(-n2ncc3c2C=C2CC[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4CC[C@]5(O)C(=O)CSc4nc5ccccc5s4)[C@@]2(C)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL2023233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOFNJFCFTLUKSK-HVYWKPLFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.9
MW (Da)
6.74
ALogP
9
HBA
2
HBD
97.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 107.0 | nM | 6.97 | Transrepression activity at glucocorticoid receptor in human H292 cells assessed... | 22465636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22465636 | 10.1016/j.bmcl.2012.03.015 | Glucocorticoid receptor | 6 |
Data from ChEMBL 36 via Core Engine