Compound Detail
CHEMBL349005
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Basic Information
| ChEMBL ID | CHEMBL349005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUENRUZPZZFMCA-YFKPBYRVSA-N |
8
Targets
15
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
129.2
MW (Da)
0.07
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.05
EC50 2 meas. best 4.62
Ki 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 3 CHEMBL5208 | IC50 | 5.6 | 5.585 | 2511.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL1903 | IC50 | 5.5 | 5.455 | 3162.3 | 2 |
| Sodium- and chloride-dependent betaine transporter CHEMBL3715 | IC50 | 5.4 | 5.35 | 3981.1 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.26 | 5.255 | 5495.4 | 2 |
| GABA B receptor CHEMBL2111474 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 2 CHEMBL4535 | IC50 | 4.8 | 4.8 | 15848.9 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | EC50 | 4.62 | 4.62 | 23988.3 | 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 rho-1 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Unchecked | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 4 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 1 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 3 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent betaine transporter | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; anion channel | 2 |
| 2153214 | 10.1021/jm00163a012 | GABA-A receptor; anion channel | 1 |
| 2153214 | 10.1021/jm00163a012 | GABA B receptor | 1 |
| 2153214 | 10.1021/jm00163a012 | Unchecked | 1 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine