Compound Detail
CHEMBL297390
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Basic Information
| ChEMBL ID | CHEMBL297390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
126.1
MW (Da)
-0.03
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 4.37 | 4.37 | 42657.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 42657.95 | nM | 4.37 | Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells | 21353350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Unchecked | 4 |
| - | 10.1016/S0960-894X(00)80463-1 | No relevant target | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 3 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine