Compound Detail
CHEMBL170539
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Basic Information
| ChEMBL ID | CHEMBL170539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZYJTJJQGHXSFN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
156.2
MW (Da)
0.49
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 42000.0 | nM | 4.38 | In vitro affinity for GABA binding sites on purified synaptic membranes from rat... | 6304315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6304315 | 10.1021/jm00360a020 | No relevant target | 2 |
| 6304315 | 10.1021/jm00360a020 | GABA-A receptor; anion channel | 2 |
| 6304315 | 10.1021/jm00360a020 | Felis catus | 2 |
| 6304315 | 10.1021/jm00360a020 | Unchecked | 1 |
| 6304315 | 10.1021/jm00360a020 | GABA transporter | 1 |
Data from ChEMBL 36 via Core Engine