Compound Detail
CHEMBL4060927
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CO[C@H]1CC(=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4060927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTERVLHXMOVKJM-RDAGDLAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.15
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of full-length mouse 11beta-HSD1 expressed in HEK293 microsomal fract... | 28458137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28458137 | 10.1016/j.ejmech.2017.04.059 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine