Compound Detail
CHEMBL218246
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Basic Information
| ChEMBL ID | CHEMBL218246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJTWBQCPSRQQDF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.18 | 6.92 | 66.0 | 2 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.32 | 5.32 | 4780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of human 11beta-HSD1 | 16890427 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 219.0 | nM | 6.66 | Inhibition of human 11beta-HSD1 expressed in HEK cells | 16890427 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4780.0 | nM | 5.32 | Inhibition of mouse 11beta-HSD1 | 16890427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine