Compound Detail
CHEMBL404357
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Basic Information
| ChEMBL ID | CHEMBL404357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIUUYCCJGSHQET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
5.27
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4580.0 | nM | 5.34 | Inhibition of human 11beta-HSD1 | 18242087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242087 | 10.1016/j.bmcl.2008.01.020 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine