Compound Detail
CHEMBL3422266
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CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)C(=O)C[C@@H](O)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3422266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUZLPULOHLRSON-AXEWUURISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
3.50
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.12 | 7.12 | 75.5 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 75.5 | nM | 7.12 | Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 c... | 25590374 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 c... | 25590374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25590374 | 10.1021/np500896n | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 25590374 | 10.1021/np500896n | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 25590374 | 10.1021/np500896n | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine