Compound Detail
CHEMBL78461
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Basic Information
| ChEMBL ID | CHEMBL78461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HADVPKFDINMWOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
4.60
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.2 | 5.2 | 6310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 6310.0 | nM | 5.2 | 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 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine