Compound Detail
CHEMBL3609877
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CC(C)(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL3609877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTTMQCISTPFFCJ-ACPSHBDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
2.33
ALogP
4
HBA
3
HBD
118.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of human 11beta-HSD1 | 26187704 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of mouse 11beta-HSD1 | 26187704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26187704 | 10.1016/j.bmcl.2015.06.099 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine