Compound Detail
CHEMBL5197302
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C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL5197302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSGQGNQWBLYHPE-CFUSNLFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.74
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.04 | 8.04 | 9.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 9.2 | nM | 8.04 | Modulation of Androgen receptor (unknown origin) | 35063736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine