Compound Detail
CHEMBL489857
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Basic Information
| ChEMBL ID | CHEMBL489857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVYFTVFIEUKSKZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.85
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 4.8 | nM | 8.32 | Inhibition of 11beta-HSD1 | 19473839 |
| 11-beta-hydroxysteroid dehydrogenase 1 | EC50 | = | 10.0 | nM | 8.0 | Inhibition of human 11beta-HSD1 in HEK293 cells | 19473839 |
| 11-beta-hydroxysteroid dehydrogenase 1 | EC50 | = | 10.0 | nM | 8.0 | Inhibition of 11beta-HSD1 in human HEK293 cells | 23489629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473839 | 10.1016/j.bmcl.2009.05.011 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 23489629 | 10.1016/j.bmcl.2013.02.066 | Liver microsomes | 1 |
| 23489629 | 10.1016/j.bmcl.2013.02.066 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine