Compound Detail
CHEMBL407945
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CC(C)(Oc1ccc(-n2cccn2)cn1)C(=O)N[C@H]1C2CC3CC1C[C@](C(N)=O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL407945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JILKXZHKHQLZHW-PMWRMVHLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
2.22
ALogP
6
HBA
2
HBD
112.1
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 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 5.012 | nM | 8.3 | 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