Compound Detail
CHEMBL472612
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Basic Information
| ChEMBL ID | CHEMBL472612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAHGGSFCHHBQFB-QGMBQPNBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
1.70
ALogP
6
HBA
3
HBD
100.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.1 | 5.1 | 7980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3020.0 | nM | 5.52 | Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion... | 18653260 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 7980.0 | nM | 5.1 | Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion... | 18653260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18653260 | 10.1016/j.ejmech.2008.06.005 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 18653260 | 10.1016/j.ejmech.2008.06.005 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine