Compound Detail
CHEMBL351355
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Basic Information
| ChEMBL ID | CHEMBL351355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUENRUZPZZFMCA-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
129.2
MW (Da)
0.07
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.7 | 6.59 | 200.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 5.39 | 5.39 | 4073.8 | 1 |
| GABA B receptor CHEMBL2111474 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 200.0 | nM | 6.7 | In vitro binding affinity against Gamma-aminobutyric acid A receptor in rat brai... | 2153214 |
| GABA-A receptor; anion channel | IC50 | = | 330.0 | nM | 6.48 | Displacement of [3H]- muscimol from GABA-A receptor from rat cerebellum membrane... | 2985785 |
| Rattus norvegicus | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of GABA uptake from rat diencephalon-midbrain, | 2985785 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | In vitro GABA uptake was determined in synaptosome suspensions | 2153214 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 4073.8 | nM | 5.39 | Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]... | 31097402 |
| GABA B receptor | IC50 | = | 14100.0 | nM | 4.85 | In vitro binding affinity against Gamma-aminobutyric acid type B receptor in rat... | 2153214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2985785 | 10.1021/jm50001a020 | GABA-A receptor; anion channel | 2 |
| 2985785 | 10.1021/jm50001a020 | Rattus norvegicus | 1 |
| 2985785 | 10.1021/jm50001a020 | Glutamate decarboxylase 1 | 1 |
| 2985785 | 10.1021/jm50001a020 | 4-aminobutyrate aminotransferase, mitochondrial | 1 |
| 2153214 | 10.1021/jm00163a012 | GABA-A receptor; anion channel | 1 |
| 2153214 | 10.1021/jm00163a012 | GABA B receptor | 1 |
| 2153214 | 10.1021/jm00163a012 | Unchecked | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine