Compound Detail
CHEMBL189306
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CCCCCCCCCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21
Basic Information
| ChEMBL ID | CHEMBL189306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHBGXQDJONQGOL-QLZNFUPDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
8.09
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 9.7 | 8.71 | 0.2 | 2 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human androgen receptor expressed in Escherichia coli | 15456242 |
| Androgen receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation | 15456242 |
| Glucocorticoid receptor | IC50 | = | 870.0 | nM | 6.06 | Inhibition of CHO-K1 cells expressing glucocorticoid receptor | 15456242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456242 | 10.1021/jm0342515 | Androgen receptor | 2 |
| 15456242 | 10.1021/jm0342515 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine