Compound Detail
CHEMBL366144
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CCOc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL366144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLUBMCIEPHWLGE-IDLUEMFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.09
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 890.0 | nM | 6.05 | Inhibitory concentration against steroid sulfatase in placental microsomes | 16078843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078843 | 10.1021/jm050066a | MCF7 | 1 |
| 16078843 | 10.1021/jm050066a | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine