Compound Detail
CHEMBL552225
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C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL552225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQZWJDXCUYQULP-OKILXGFUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
3.21
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.99 | 5.99 | 1024.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.58 | 5.58 | 2631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1024.0 | nM | 5.99 | Inhibition of mouse microsomal 11beta-HSD1 expressed in HEK293 cells assessed as... | 19564108 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2631.0 | nM | 5.58 | Inhibition of human microsomal 11beta-HSD1 expressed in HEK293 cells assessed as... | 19564108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19564108 | 10.1016/j.bmcl.2009.05.033 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine