Compound Detail
CHEMBL302870
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C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL302870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLRFCQOZQXIBAB-UKPFUUFUSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.33
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.52
IC50 1 meas.
Ki 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 0.3 | nM | 9.52 | Agonist activity against Human Androgen receptor expressed in CV-1 cells | 9925725 |
| Androgen receptor | Ki | = | 4.0 | nM | 8.4 | Binding affinity for human Androgen receptor expressed in COS-1 cells | 9925725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925725 | 10.1021/jm9806648 | Androgen receptor | 4 |
Data from ChEMBL 36 via Core Engine