Compound Detail
CHEMBL3291350
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Basic Information
| ChEMBL ID | CHEMBL3291350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOPGMCGZGOFYEM-ACJLOTCBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
3.96
ALogP
3
HBA
0
HBD
26.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by E... | 24815509 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as... | 24815509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24815509 | 10.1016/j.bmcl.2014.04.049 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine