Compound Detail
CHEMBL2403793
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Basic Information
| ChEMBL ID | CHEMBL2403793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLQATTZTRJREOA-BLLMUTORSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.06
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 4.22 | 4.22 | 60256.0 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.2 | 4.2 | 63095.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 60255.96 | nM | 4.22 | Inhibition of GABA uptake at murine GAT-3 expressed in HEK293 cells | 23770450 |
| GABA transporter 3 | IC50 | = | 63095.73 | nM | 4.2 | Inhibition of GABA uptake at murine GAT-2 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 | Sodium- and chloride-dependent GABA transporter 1 | 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 |
Data from ChEMBL 36 via Core Engine