Compound Detail
CHEMBL515546
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL515546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEZXNINTRZYZHE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
5.01
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 3 CHEMBL5205 | IC50 | 4.92 | 4.92 | 12022.6 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.73 | 4.73 | 18620.9 | 1 |
| GABA transporter 2 CHEMBL4228 | IC50 | 4.71 | 4.71 | 19498.5 | 1 |
| GABA transporter 4 CHEMBL3699 | IC50 | 4.64 | 4.64 | 22908.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 3 | IC50 | = | 12022.64 | nM | 4.92 | Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK cells | 18395300 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 18620.87 | nM | 4.73 | Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK cells | 18395300 |
| GABA transporter 2 | IC50 | = | 19498.45 | nM | 4.71 | Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK cells | 18395300 |
| GABA transporter 4 | IC50 | = | 22908.68 | nM | 4.64 | Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK cells | 18395300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18395300 | 10.1016/j.ejmech.2008.01.005 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 18395300 | 10.1016/j.ejmech.2008.01.005 | GABA transporter 3 | 1 |
| 18395300 | 10.1016/j.ejmech.2008.01.005 | GABA transporter 2 | 1 |
| 18395300 | 10.1016/j.ejmech.2008.01.005 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine