Compound Detail
CHEMBL5280689
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NC(=O)C12CC3CC(CC(NC(=O)CN4CCCN(c5c(Cl)cc(Cl)cc5Cl)S4(=O)=O)(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL5280689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICWXHBYNGUWUCV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.9
MW (Da)
3.34
ALogP
4
HBA
2
HBD
112.8
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells incubated for 24 hrs b... | 32088493 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells incubated for 24 hrs b... | 32088493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32088493 | 10.1016/j.ejmech.2020.112134 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine