Compound Detail
CHEMBL269973
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CC(C)(Oc1ccc(N2CCOCC2)cn1)C(=O)N[C@H]1C2CC3CC1C[C@](C(N)=O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL269973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQJZZTVOUBXBSP-KFLCZLSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
1.87
ALogP
6
HBA
2
HBD
106.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.36 | 7.36 | 43.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 43.65 | nM | 7.36 | Inhibition of 11beta-HSD1 | 18314331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314331 | 10.1016/j.bmcl.2008.02.042 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine