Compound Detail
CHEMBL2377211
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Basic Information
| ChEMBL ID | CHEMBL2377211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRGIKGDSURWPTL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.31
ALogP
5
HBA
2
HBD
108.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.25 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 81.0 | % | Rattus norvegicus |
| T1/2 | 17.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | EC50 | = | 49.0 | nM | 7.31 | Inhibition of 11beta-HSD1 in human HEK293 cells | 23489629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23489629 | 10.1016/j.bmcl.2013.02.066 | Rattus norvegicus | 4 |
| 23489629 | 10.1016/j.bmcl.2013.02.066 | Liver microsomes | 1 |
| 23489629 | 10.1016/j.bmcl.2013.02.066 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine