Compound Detail
CHEMBL111025
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Basic Information
| ChEMBL ID | CHEMBL111025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVQSKRVRRIRGIP-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
4.76
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.62 | 6.62 | 242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 242.0 | nM | 6.62 | Binding affinity to rat benzodiazepine receptor | 12372537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372537 | 10.1016/s0960-894x(02)00512-7 | GABA-A receptor; anion channel | 2 |
| 12372537 | 10.1016/s0960-894x(02)00512-7 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine