Compound Detail
CHEMBL1760805
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Basic Information
| ChEMBL ID | CHEMBL1760805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLKKSSJPSJWGPI-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
5.20
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
EC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21334894 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.8 | nM | 8.55 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21334894 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 4800.0 | nM | 5.32 | Agonist activity at PXR | 21334894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21334894 | 10.1016/j.bmcl.2011.01.125 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 21334894 | 10.1016/j.bmcl.2011.01.125 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21334894 | 10.1016/j.bmcl.2011.01.125 | Mus musculus | 2 |
| 21334894 | 10.1016/j.bmcl.2011.01.125 | Nuclear receptor subfamily 1 group I member 2 | 2 |
Data from ChEMBL 36 via Core Engine