Compound Detail
CHEMBL4083216
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C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OS(=O)(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL4083216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHBWIMVCXKCZGD-FPTDNZKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
4.53
ALogP
7
HBA
2
HBD
119.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.33 | 6.33 | 464.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 464.0 | nM | 6.33 | Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells... | 28937774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28937774 | 10.1021/acs.jmedchem.7b01215 | Glucocorticoid receptor | 3 |
| 28937774 | 10.1021/acs.jmedchem.7b01215 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine