Compound Detail
CHEMBL4464494
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Basic Information
| ChEMBL ID | CHEMBL4464494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQCCRLRYTXVTRA-UHFFFAOYSA-N |
6
Targets
18
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
0.14
ALogP
4
HBA
2
HBD
75.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 14 meas. best 5.92
Ki 4 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.49 | 6.1925 | 323.6 | 4 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 5.92 | 5.525 | 1200.0 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | EC50 | 5.57 | 5.265 | 2691.5 | 4 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.6 | 4.6 | 25000.0 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 CHEMBL4523640 | EC50 | 4.58 | 4.58 | 26000.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 | 7 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Unchecked | 7 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 7 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit rho-1 | 6 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 6 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; anion channel | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 1 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 2 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 3 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent betaine transporter | 4 |
Data from ChEMBL 36 via Core Engine