Compound Detail
CHEMBL4162610
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Basic Information
| ChEMBL ID | CHEMBL4162610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHVLKXEKRBBSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.32
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 39.72 | ng.hr.mL-1 | Mus musculus |
| AUC | 40.04 | ng.hr.mL-1 | Mus musculus |
| Cmax | 163.05 | nM | Mus musculus |
| T1/2 | 0.771 | hr | Mus musculus |
| Tmax | 0.5 | 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 | = | 30.0 | nM | 7.52 | Inhibition of 11beta-HSD1 in human liver microsomes using [3H]cortisone as subst... | 28818766 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of 11beta-HSD1 in CD1 mouse liver microsomes using cortisone as subst... | 28818766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28818766 | 10.1016/j.ejmech.2017.08.003 | Mus musculus | 22 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | ADMET | 8 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | No relevant target | 1 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine