Compound Detail
CHEMBL3775303
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Basic Information
| ChEMBL ID | CHEMBL3775303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPFKDFYXKFDDJ-UPVQGACJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.45
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Ki 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.59 | 4.59 | 25941.8 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | Ki | 4.54 | 4.54 | 28575.9 | 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 | = | 25941.79 | nM | 4.59 | Inhibition of mouse GAT1 expressed in HEK293 cells assessed as [3H]GABA uptake p... | 27039250 |
| Sodium- and chloride-dependent GABA transporter 1 | Ki | = | 28575.91 | nM | 4.54 | Displacement of NO 711 from mouse GAT1 expressed in HEK293 cell membranes after ... | 27039250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27039250 | 10.1016/j.bmc.2016.03.038 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
| 27039250 | 10.1016/j.bmc.2016.03.038 | GABA transporter 4 | 2 |
| 27039250 | 10.1016/j.bmc.2016.03.038 | GABA transporter 3 | 1 |
Data from ChEMBL 36 via Core Engine