Compound Detail
CHEMBL4798809
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Basic Information
| ChEMBL ID | CHEMBL4798809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMYNFMYTOJXKLE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
105.1
MW (Da)
-1.61
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 5.4 | 5.35 | 3981.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of... | 31901745 |
| GABA transporter 4 | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of mouse GAT4 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