Compound Detail
CHEMBL3398494
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Basic Information
| ChEMBL ID | CHEMBL3398494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKBCRDTZCCZJRT-RFZPGFLSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
145.2
MW (Da)
-0.82
ALogP
3
HBA
3
HBD
69.6
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 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 4.85 | 4.85 | 14125.4 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.44 | 4.44 | 36307.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 14125.38 | nM | 4.85 | Inhibition of mouse GAT4 expressed in HEK293 cells by [3H]GABA uptake assay | 25698617 |
| GABA transporter 3 | IC50 | = | 36307.81 | nM | 4.44 | 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 |
| 25698617 | 10.1016/j.bmc.2015.01.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine