Compound Detail
CHEMBL373889
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
O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL373889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSFYSFYPFBYYCS-JXJPVIIGSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.28
ALogP
5
HBA
2
HBD
68.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | Ki | 6.52 | 6.52 | 300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 183.33 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1083.33 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 67.0 | nM | 7.17 | Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA | 17201418 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 300.0 | nM | 6.52 | Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli by SPA | 17201418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201418 | 10.1021/jm0609364 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 17201418 | 10.1021/jm0609364 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 17201418 | 10.1021/jm0609364 | Liver microsomes | 1 |
| 17201418 | 10.1021/jm0609364 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine