Compound Detail
CHEMBL2315958
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Basic Information
| ChEMBL ID | CHEMBL2315958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJPNPQXTMJLALF-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
3.71
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 7.0 | 6.98 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 m... | 23336362 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 m... | 23336362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23336362 | 10.1021/jm301800j | Sodium- and chloride-dependent GABA transporter 1 | 2 |
Data from ChEMBL 36 via Core Engine