Compound Detail
CHEMBL1689283
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
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(NC(N)=O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1689283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRAONNOIYRTRDB-YKLVYJNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
5.75
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion... | 21376605 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed a... | 21376605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376605 | 10.1016/j.bmc.2011.02.005 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
| 21376605 | 10.1016/j.bmc.2011.02.005 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 21376605 | 10.1016/j.bmc.2011.02.005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine