Compound Detail
CHEMBL472508
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Basic Information
| ChEMBL ID | CHEMBL472508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOLMNLJKDBCJIB-CUFSGNDSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.81
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate asse... | 18533708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18533708 | 10.1021/jm800054h | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 18533708 | 10.1021/jm800054h | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 18533708 | 10.1021/jm800054h | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 18533708 | 10.1021/jm800054h | 17-beta-hydroxysteroid dehydrogenase type 3 | 1 |
| 18533708 | 10.1021/jm800054h | Aldo-keto reductase family 1 member C3 | 1 |
Data from ChEMBL 36 via Core Engine