Compound Detail
CHEMBL432737
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Basic Information
| ChEMBL ID | CHEMBL432737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDLDUZLDZBVOAS-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
4.82
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 3 CHEMBL5208 | IC50 | 5.3 | 5.15 | 5000.0 | 2 |
| Sodium- and chloride-dependent GABA transporter 2 CHEMBL4889 | IC50 | 4.68 | 4.575 | 21000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 3 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human GAT-3 expressed in mouse L-M(TK-) cells assessed as inhibiti... | 35306287 |
| Sodium- and chloride-dependent GABA transporter 3 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human sodium and chloride dependent GABA transporter... | 8057281 |
| Sodium- and chloride-dependent GABA transporter 2 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of rat GAT-2 expressed in mouse L-M(TK-) cells assessed as inhibition... | 35306287 |
| Sodium- and chloride-dependent GABA transporter 2 | IC50 | = | 34000.0 | nM | 4.47 | Inhibitory activity against rat GABA transporter-2 (rGAT2) | 8057281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent GABA transporter 3 | 1 |
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent GABA transporter 2 | 1 |
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent betaine transporter | 1 |
Data from ChEMBL 36 via Core Engine