Compound Detail
CHEMBL193243
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Basic Information
| ChEMBL ID | CHEMBL193243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHFZEXZBGBLPFZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.7
MW (Da)
5.68
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | EC50 | 4.06 | 4.06 | 87790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 | EC50 | = | 600.0 | nM | 6.22 | Effective concentration against GABA-evoked chloride currents mediated by human ... | 15801854 |
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | Effective concentration required for reversible loss of righting reflex in Xenop... | 15801854 |
| GABA-A receptor; anion channel | EC50 | = | 87790.0 | nM | 4.06 | Effective concentration to enhance [3H]-GABA binding to Gamma-aminobutyric acid ... | 15801854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801854 | 10.1021/jm049120y | GABA A receptor alpha-2/beta-2/gamma-2 | 2 |
| 15801854 | 10.1021/jm049120y | GABA-A receptor; anion channel | 1 |
| 15801854 | 10.1021/jm049120y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine