Compound Detail
CHEMBL4166168
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Basic Information
| ChEMBL ID | CHEMBL4166168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNGCHACUJQEGMA-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
5.61
ALogP
5
HBA
1
HBD
74.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 6.39 | 6.085 | 407.4 | 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 | = | 407.38 | nM | 6.39 | Inhibition of mouse GAT1 assessed as reduction in GABA uptake | 29924931 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 1659.59 | nM | 5.78 | Inhibition of mouse GAT1 assessed as reduction in GABA uptake using photoirradia... | 29924931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29924931 | 10.1021/acs.jmedchem.8b00629 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
Data from ChEMBL 36 via Core Engine