Compound Detail
CHEMBL387424
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
CCOC(=O)[C@H]1[C@@H]2CCC(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL387424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLTDCWUXAWDSPX-ZNTGEFMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
3.98
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.23 | 6.23 | 587.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 587.0 | nM | 6.23 | Inhibition of human 11beta-HSD1 | 16890427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine