Compound Detail
CHEMBL2152226
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]1CC[C@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL2152226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMKRTNRAKFOHRO-DOXZYTNZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
415.0
MW (Da)
2.61
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of human 11betaHSD1 by scintillation proximity assay | 24900382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900382 | 10.1021/ml300144n | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine