Compound Detail
CHEMBL5178760
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 | CHEMBL5178760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQNWSPUETZHQIX-XVNBXDOJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.3
MW (Da)
5.86
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 7.28 | 7.28 | 52.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | Ki | = | 8.913 | nM | 8.05 | Binding affinity to mouse GAT-1 assessed as inhibition constant | 35306287 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 52.48 | nM | 7.28 | Inhibition of mouse GAT-1 assessed as inhibition of GABA uptake | 35306287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
Data from ChEMBL 36 via Core Engine