Compound Detail
CHEMBL4214377
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CC(C)CCN1C[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)SCF)C1
Basic Information
| ChEMBL ID | CHEMBL4214377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZJZTTKHGBWDAL-OOXXBYQCSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
5.07
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.54
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.24
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Glucocorticoid receptor CHEMBL2034 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | Ki | = | 4.8 | nM | 8.32 | Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor... | 29741897 |
| Glucocorticoid receptor | EC50 | = | 57.0 | nM | 7.24 | Induction of nuclear translocation of human recombinant ProLabel-tagged glucocor... | 29741897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29741897 | 10.1021/acs.jmedchem.7b01873 | Glucocorticoid receptor | 2 |
| 29741897 | 10.1021/acs.jmedchem.7b01873 | No relevant target | 1 |
| 29741897 | 10.1021/acs.jmedchem.7b01873 | Mineralocorticoid receptor | 1 |
| 29741897 | 10.1021/acs.jmedchem.7b01873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine