Compound Detail
CHEMBL604258
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Basic Information
| ChEMBL ID | CHEMBL604258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJBQPELFQMHCCO-JKSUJKDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
4.16
ALogP
5
HBA
2
HBD
60.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.5 | 5.5 | 3150.0 | 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 | = | 3150.0 | nM | 5.5 | Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid sc... | 19703775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19703775 | 10.1016/j.bmc.2009.08.010 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 19703775 | 10.1016/j.bmc.2009.08.010 | GABA transporter 3 | 1 |
Data from ChEMBL 36 via Core Engine