Compound Detail
CHEMBL79273
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 | CHEMBL79273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWHKRVIJWNWBMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
5.56
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 210.0 | nM | 6.68 | In vitro binding affinity to the Gamma-aminobutyric acid A receptor complex in p... | 10395481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395481 | 10.1021/jm9805889 | Mus musculus | 8 |
| 10395481 | 10.1021/jm9805889 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine