Compound Detail
CHEMBL383352
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL383352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPHWCVUMWQOWOK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
6.67
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.74 | 8.7133 | 1.8 | 3 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.034 | uM.hr.Kg/mg | Mus musculus |
| CL | 273.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 273.0 | mL.min-1.kg-1 | Mus musculus |
| F | 21.0 | % | Mus musculus |
| F | 20.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against human 11beta-HSD1 | 16185866 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.995 | nM | 8.7 | Inhibition of 11beta-HSD1 | 18314331 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against mouse 11beta-HSD1 | 16185866 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16185866 | 10.1016/j.bmcl.2005.08.052 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | Mus musculus | 4 |
| 16185866 | 10.1016/j.bmcl.2005.08.052 | Mus musculus | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18314331 | 10.1016/j.bmcl.2008.02.042 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine