Compound Detail
CHEMBL597481
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Basic Information
| ChEMBL ID | CHEMBL597481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNJVHRDAROUEEZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.82
ALogP
2
HBA
2
HBD
69.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.17 | 7.74 | 6.7 | 2 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as c... | 20064717 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of 11beta-HSD2 | 20064717 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 49.1 | nM | 7.31 | Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cort... | 20064717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20064717 | 10.1016/j.bmcl.2009.12.082 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 20064717 | 10.1016/j.bmcl.2009.12.082 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
Data from ChEMBL 36 via Core Engine