Compound Detail
CHEMBL255660
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Basic Information
| ChEMBL ID | CHEMBL255660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTBJZZJXCRWFER-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.00
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human 11-beta-HSD1 by SPA assay | 18440812 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of mouse 11-beta-HSD1 by SPA assay | 18440812 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human 11-beta-HSD2 by SPA assay | 18440812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440812 | 10.1016/j.bmcl.2008.04.014 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 18440812 | 10.1016/j.bmcl.2008.04.014 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18440812 | 10.1016/j.bmcl.2008.04.014 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine