Compound Detail
CHEMBL4575439
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CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]32[C@]2(C)C(=O)C(O)=C3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4575439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJTULIWKBMDPCJ-IWAPATSESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.43
ALogP
7
HBA
1
HBD
106.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [... | 26936592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26936592 | 10.1021/acs.jnatprod.5b00952 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
Data from ChEMBL 36 via Core Engine