Compound Detail
CHEMBL1947225
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C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(OC(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL1947225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEIITISIORYLFU-DJCPXJLLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
5.49
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 74.0 | nM | 7.13 | Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate ... | 22264754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22264754 | 10.1016/j.bmc.2011.12.036 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine