Compound Detail
CHEMBL3403594
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Basic Information
| ChEMBL ID | CHEMBL3403594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCYAEYLUXRQTGL-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.16 | 5.16 | 6918.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 6990.0 | nM | 5.16 | Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3... | 25882526 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 6918.31 | nM | 5.16 | Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3... | 25882526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882526 | 10.1016/j.bmc.2015.03.060 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 3 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 4 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine