Compound Detail
CHEMBL376256
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Basic Information
| ChEMBL ID | CHEMBL376256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKSREMNMLHZFGS-BJHJDKERSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
4.30
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 4.0 | nM | 8.4 | Inhibition of rat 11beta-HSD1 | 17000111 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 28.0 | nM | 7.55 | Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA | 17000111 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human 11beta-HSD1 expressed in HEK293 cells by fluorescence polari... | 17000111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17000111 | 10.1016/j.bmcl.2006.09.035 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 17000111 | 10.1016/j.bmcl.2006.09.035 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine