Compound Detail
CHEMBL2403789
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 | CHEMBL2403789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOIPJVQREOAZBU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.39
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.88 | 4.88 | 13182.6 | 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 | = | 13182.57 | nM | 4.88 | Inhibition of GABA uptake at murine GAT-1 expressed in HEK293 cells | 23770450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 2 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 4 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | GABA transporter 3 | 1 |
| 23770450 | 10.1016/j.ejmech.2013.04.063 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine