Compound Detail
CHEMBL1233786
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COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)N2CCC[C@@H]2C(N)=O)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1233786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKJCJJOQRAGWOW-ZORMNXRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
655.7
MW (Da)
5.64
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 6.3 | nM | 8.2 | Inhibition of glucocorticoid receptor (unknown origin) | 31188592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31188592 | 10.1021/acs.jmedchem.8b01732 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine