Compound Detail
CHEMBL4586784
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Basic Information
| ChEMBL ID | CHEMBL4586784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAEIBKXSIXOLOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
115.1
MW (Da)
-0.32
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.17 | 4.17 | 67608.3 | 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 | = | 67608.3 | nM | 4.17 | Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]... | 31097402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine