Compound Detail
CHEMBL4084451
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H](C(C)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4084451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLAAWJXDCTXSPC-XGWMCFOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
5.16
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 6.34 | 6.34 | 454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 454.0 | nM | 6.34 | 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 | 3 |
| 28458137 | 10.1016/j.ejmech.2017.04.059 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 28458137 | 10.1016/j.ejmech.2017.04.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine