Compound Detail
CHEMBL2152223
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL2152223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDOZZJFHEYUHMV-FCNBXJQRSA-N |
3
Targets
4
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
3.25
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 | 8.89 | 7.905 | 1.3 | 2 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 597.0 | ng.hr.mL-1 | Mus musculus |
| CL | 0.09 | mL.min-1.kg-1 | Mus musculus |
| F | 9.1 | % | Mus musculus |
| F | 63.0 | % | Mus musculus |
| T1/2 | 0.2333 | hr | Mus musculus |
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 11betaHSD1 by scintillation proximity assay | 24900382 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of mouse 11betaHSD1 by scintillation proximity assay | 24900382 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 121.0 | nM | 6.92 | Inhibition of mouse 11betaHSD1 in 3T3L1 cells assessed as conversion of [1,2-(N)... | 24900382 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human 11betaHSD2 | 24900382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900382 | 10.1021/ml300144n | Mus musculus | 6 |
| 24900382 | 10.1021/ml300144n | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 24900382 | 10.1021/ml300144n | Liver microsomes | 1 |
| 24900382 | 10.1021/ml300144n | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 24900382 | 10.1021/ml300144n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine