Compound Detail
CHEMBL2403791
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Basic Information
| ChEMBL ID | CHEMBL2403791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNFXBXMZWZDKQF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.76
ALogP
5
HBA
2
HBD
61.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.06 | 5.055 | 8709.6 | 2 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.39 | 4.39 | 40738.0 | 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 | = | 8709.64 | nM | 5.06 | Inhibition of GABA uptake at murine GAT-1 expressed in HEK293 cells | 23770450 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of mouse GAT1 | 37837674 |
| GABA transporter 3 | IC50 | = | 40738.03 | nM | 4.39 | Inhibition of GABA uptake at murine GAT-2 expressed in HEK293 cells | 23770450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 4 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 2 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 3 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 37837674 | 10.1016/j.ejmech.2023.115832 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine