Compound Detail
CHEMBL412652
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Basic Information
| ChEMBL ID | CHEMBL412652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGWOSTIQYXDFTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.20
ALogP
5
HBA
0
HBD
39.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.99 | 5.99 | 1023.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 1023.0 | nM | 5.99 | Binding affinity against benzodiazepine (BZ) receptor by displacing [3H]diazepam... | 2842502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2842502 | 10.1021/jm00117a012 | GABA-A receptor; anion channel | 1 |
| 2842502 | 10.1021/jm00117a012 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine