Compound Detail
CHEMBL1761135
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Basic Information
| ChEMBL ID | CHEMBL1761135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYOODXKCWJLXMH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.54
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3490 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21421311 | 10.1016/j.bmcl.2011.01.018 | Mus musculus | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine