Compound Detail
CHEMBL422158
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Basic Information
| ChEMBL ID | CHEMBL422158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMIKDIWICOAHJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.7
MW (Da)
1.92
ALogP
7
HBA
0
HBD
96.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 44.0 | nM | 7.36 | Binding affinity towards Benzodiazepine receptor from bovine brain membrane usin... | 12477354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477354 | 10.1021/jm020944u | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine