Compound Detail
CHEMBL422795
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
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(O)CC[C@@]43C)[C@@H]1CC(=O)C2
Basic Information
| ChEMBL ID | CHEMBL422795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDSIJVKJXHSMCM-MSHHNXDYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.96
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.75 | 5.75 | 1767.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1767.0 | nM | 5.75 | Inhibition of binding of tert-butyl bicyclophosphorothionate ([35 S]TBPS) at Gam... | 11063608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063608 | 10.1021/jm000977e | GABA-A receptor; anion channel | 1 |
| 11063608 | 10.1021/jm000977e | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine