Compound Detail
CHEMBL3140372
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](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3140372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYKYBWRSLLXBOW-DATPGIFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
3.57
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 120.0 | nM | 6.92 | Displacement of [3S]-tert-butylbicyclophosphorothionate (TBPS) from Gamma-aminob... | 10966737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10966737 | 10.1021/jm0002477 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 4 |
| 2160534 | 10.1021/jm00168a008 | Rattus norvegicus | 1 |
| 10966737 | 10.1021/jm0002477 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine