Compound Detail
CHEMBL404095
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Basic Information
| ChEMBL ID | CHEMBL404095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGYZYOKAXYFLIU-PPUGGXLSSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
4.56
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4.68 | microM.hr/mg/kg | Mus musculus |
| AUC | 5.44 | microM.hr/mg/kg | Mus musculus |
| CL | 10.7 | mL.min-1.kg-1 | Mus musculus |
| F | 100.0 | % | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human 11-beta-HSD1 by SPA assay | 18440812 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of mouse 11-beta-HSD1 by SPA assay | 18440812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440812 | 10.1016/j.bmcl.2008.04.014 | Mus musculus | 7 |
| 24294985 | 10.1021/jm4014746 | Homo sapiens | 3 |
| 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 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine