Compound Detail
CHEMBL498353
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Basic Information
| ChEMBL ID | CHEMBL498353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTXMBHFNWIETNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
5.62
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 9.3 | nM | 8.03 | Inhibition of human 11beta HSD1 by SPA assay | 18440811 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of mouse 11beta HSD1 by SPA assay | 18440811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440811 | 10.1016/j.bmcl.2008.04.013 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 18440811 | 10.1016/j.bmcl.2008.04.013 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine