Compound Detail
CHEMBL76966
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Basic Information
| ChEMBL ID | CHEMBL76966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUFRRGGPZSUFJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.79
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL1903 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against human GABA transporter-1 (hGAT1) | 8057281 |
| Rattus norvegicus | IC50 | = | 3100.0 | nM | 5.51 | In vitro inhibition of [3H]GABA uptake in rat Hippocampal slices. | 1433224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433224 | 10.1021/jm00100a032 | Rattus norvegicus | 1 |
| 8057281 | 10.1021/jm00041a012 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 8057281 | 10.1021/jm00041a012 | Sodium- and chloride-dependent GABA transporter 2 | 1 |
| 8057281 | 10.1021/jm00041a012 | Sodium- and chloride-dependent GABA transporter 3 | 1 |
| 8057281 | 10.1021/jm00041a012 | Sodium- and chloride-dependent betaine transporter | 1 |
Data from ChEMBL 36 via Core Engine