Compound Detail
CHEMBL210465
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL210465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKJZKNFGZORWFP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.33
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.69 | 5.485 | 2030.0 | 2 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.41 | 5.395 | 3900.0 | 2 |
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 2030.0 | nM | 5.69 | Inhibition of human recombinant 11-beta-HSD1 expressed in HEK293 cells | 16759088 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse i... | 16759088 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4170.0 | nM | 5.38 | Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse i... | 16759088 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 5210.0 | nM | 5.28 | Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells | 16759088 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 20200.0 | nM | 4.7 | Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells | 16759088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759088 | 10.1021/jm0600794 | 11-beta-hydroxysteroid dehydrogenase 1 | 5 |
| 16759088 | 10.1021/jm0600794 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 16759088 | 10.1021/jm0600794 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 16759088 | 10.1021/jm0600794 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 16759088 | 10.1021/jm0600794 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine