Compound Detail
CHEMBL3398496
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Basic Information
| ChEMBL ID | CHEMBL3398496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEIMKNJJGJMGLD-TYSVMGFPSA-N |
| Parent Compound | CHEMBL3546423 |
| Active Moiety | CHEMBL3546423 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
144.2
MW (Da)
-0.85
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 4.67 | 4.67 | 21379.6 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.57 | 4.57 | 26915.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 21379.62 | nM | 4.67 | Inhibition of mouse GAT4 expressed in HEK293 cells by [3H]GABA uptake assay | 25698617 |
| GABA transporter 3 | IC50 | = | 26915.35 | nM | 4.57 | Inhibition of mouse GAT3 expressed in HEK293 cells by [3H]GABA uptake assay | 25698617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25698617 | 10.1016/j.bmc.2015.01.035 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 2 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 3 | 1 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine