Compound Detail
CHEMBL40447
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Basic Information
| ChEMBL ID | CHEMBL40447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQTZVSXZOCJJSF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
4.65
ALogP
5
HBA
1
HBD
53.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 2.3 | nM | 8.64 | Binding affinity measured by [3H]diazepam binding assay in rat | 6138436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6138436 | 10.1021/jm00365a008 | Mus musculus | 3 |
| 6138436 | 10.1021/jm00365a008 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine