Compound Detail
CHEMBL5289716
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CN(CC1(C(=O)NC23CC4CC(C2)CC(C(N)=O)(C4)C3)CC1)S(=O)(=O)c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL5289716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEFHANPSESBAGN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.17
ALogP
4
HBA
2
HBD
109.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
| Hydroxysteroid 11-beta dehydrogenase 1 CHEMBL5227 | IC50 | 8.61 | 8.61 | 2.4 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 0.02 | nM | 10.7 | Inhibition of human 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-MS... | 32088493 |
| Hydroxysteroid 11-beta dehydrogenase 1 | IC50 | = | 2.43 | nM | 8.61 | Inhibition of monkey 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-M... | 32088493 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.8 | nM | 8.55 | Inhibition of mouse 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-MS... | 32088493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32088493 | 10.1016/j.ejmech.2020.112134 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 32088493 | 10.1016/j.ejmech.2020.112134 | Hydroxysteroid 11-beta dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine