Compound Detail
CHEMBL1088115
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Basic Information
| ChEMBL ID | CHEMBL1088115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGFPMHHVINUOLA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
3.58
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with G... | 20363126 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 3.1 | nM | 8.51 | Inhibition of human 11-beta-HSD1 | 20363126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363126 | 10.1016/j.bmcl.2010.03.032 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine