Compound Detail
CHEMBL4174418
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CC(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(C)(C)C)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1
Basic Information
| ChEMBL ID | CHEMBL4174418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZYIFKUGVKPPRN-QXQSKMGUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
7.49
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction ... | 30091920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30091920 | 10.1021/acs.jmedchem.8b00743 | Glucocorticoid receptor | 3 |
| 30091920 | 10.1021/acs.jmedchem.8b00743 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine