Compound Detail
CHEMBL219606
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Basic Information
| ChEMBL ID | CHEMBL219606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJXXAAVCYKDWBK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.9
MW (Da)
3.19
ALogP
3
HBA
2
HBD
81.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.89 | 7.3767 | 12.9 | 3 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human 11beta-HSD1 | 16890427 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 12.88 | nM | 7.89 | Inhibition of 11beta-HSD1 | 18314331 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of mouse 11beta-HSD1 | 16890427 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human 11beta-HSD1 expressed in HEK cells | 16890427 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human 11beta-HSD2 | 16890427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase 1 | 9 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 16890427 | 10.1016/j.bmcl.2006.07.062 | ADMET | 1 |
| 18314331 | 10.1016/j.bmcl.2008.02.042 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine