Compound Detail
CHEMBL1096451
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Basic Information
| ChEMBL ID | CHEMBL1096451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHFNNINHZIFWSS-RDOIFFKNSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.09
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Ki 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | Ki | 7.32 | 7.32 | 48.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 64.6 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 0.03 | nM | 10.52 | Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with G... | 20363126 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 48.0 | nM | 7.32 | Inhibition of mouse 11-beta-HSD1 | 20363126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363126 | 10.1016/j.bmcl.2010.03.032 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 20363126 | 10.1016/j.bmcl.2010.03.032 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine