Compound Detail
CHEMBL425022
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Basic Information
| ChEMBL ID | CHEMBL425022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOHIFKKCDMQXEE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.14
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 4.64 | 4.64 | 22908.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory concentration against human 11-beta-hydroxysteroid dehydrogenase 1 | 15911270 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 22908.68 | nM | 4.64 | Inhibition of 11beta-HSD1 | 18314331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911270 | 10.1016/j.bmcl.2005.03.093 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
| 15911270 | 10.1016/j.bmcl.2005.03.093 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 18314331 | 10.1016/j.bmcl.2008.02.042 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine