Compound Detail
CHEMBL4787153
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Basic Information
| ChEMBL ID | CHEMBL4787153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFGNKGXSCJMQFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
5.43
ALogP
6
HBA
1
HBD
49.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.15 | 5.15 | 7079.5 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.59 | 4.59 | 25704.0 | 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 | = | 7079.46 | nM | 5.15 | Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of... | 31901745 |
| GABA transporter 3 | IC50 | = | 25703.96 | nM | 4.59 | Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of... | 31901745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31901745 | 10.1016/j.ejmech.2019.111920 | GABA transporter 4 | 2 |
| 31901745 | 10.1016/j.ejmech.2019.111920 | GABA transporter 3 | 1 |
| 31901745 | 10.1016/j.ejmech.2019.111920 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine