Compound Detail
CHEMBL46482
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Basic Information
| ChEMBL ID | CHEMBL46482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIUYUFOHOGHWST-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
1.64
ALogP
6
HBA
0
HBD
73.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.61
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.61 | 8.61 | 2.5 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.62 | 7.62 | 23.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 2.47 | nM | 8.61 | Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A recep... | 7752192 |
| GABA-A receptor; anion channel | Ki | = | 23.8 | nM | 7.62 | Binding affinity against Diazepam insensitive (DI) Gamma-aminobutyric acid A rec... | 7752192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752192 | 10.1021/jm00010a013 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine