Compound Detail
CHEMBL74302
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Basic Information
| ChEMBL ID | CHEMBL74302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQVFGSDZEHNBTN-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.58
ALogP
4
HBA
2
HBD
105.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 7.8 | 7.8 | 16.0 | 2 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 7.24 | 7.24 | 58.0 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL341 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111343 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11428922 | 10.1021/jm010827j | GABA-A receptor; anion channel | 5 |
| 11428922 | 10.1021/jm010827j | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 11428922 | 10.1021/jm010827j | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 11428922 | 10.1021/jm010827j | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
| 19469479 | 10.1021/jm9001154 | Unchecked | 1 |
| 19469479 | 10.1021/jm9001154 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 19469479 | 10.1021/jm9001154 | Gamma-aminobutyric acid receptor subunit alpha-2 | 1 |
| 19469479 | 10.1021/jm9001154 | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine