Compound Detail
CHEMBL4094542
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Basic Information
| ChEMBL ID | CHEMBL4094542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHTFEJCHTQNZPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
1.35
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.25 | 5.25 | 5678.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 357.0 | nM | 6.45 | Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate p... | 28537398 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 5678.0 | nM | 5.25 | Inhibition of mouse 11beta-HSD1 | 28537398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28537398 | 10.1021/acs.jmedchem.7b00211 | Liver | 3 |
| 28537398 | 10.1021/acs.jmedchem.7b00211 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine