Compound Detail
CHEMBL2440126
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
CCOC(=O)/C(CN[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21)=N\O
Basic Information
| ChEMBL ID | CHEMBL2440126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBPRINXJBVCWRI-SVMSQMNBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.68
ALogP
7
HBA
2
HBD
105.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed a... | 24074876 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed a... | 24074876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine