Compound Detail
CHEMBL5413057
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C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](C5CCC(N)CC5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
Basic Information
| ChEMBL ID | CHEMBL5413057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBEQZSRSKLDNOT-WHUHCIBKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
2.47
ALogP
7
HBA
3
HBD
119.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 63.0 | nM | 7.2 | Inhibition of glucocorticoid receptor (unknown origin) | 38516594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516594 | 10.1039/d3md00674c | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine