Compound Detail
CHEMBL401975
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Basic Information
| ChEMBL ID | CHEMBL401975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDADMRSCTRKLQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.8
MW (Da)
5.98
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells | 18434143 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells | 18434143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18434143 | 10.1016/j.bmcl.2008.04.010 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 18434143 | 10.1016/j.bmcl.2008.04.010 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine