Compound Detail
CHEMBL4160328
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Basic Information
| ChEMBL ID | CHEMBL4160328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVIULPKIBHPWHA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
3.24
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.66
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 type 2 CHEMBL3746 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
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 type 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cort... | 28818766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28818766 | 10.1016/j.ejmech.2017.08.003 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 28818766 | 10.1016/j.ejmech.2017.08.003 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine