Compound Detail
CHEMBL292868
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Basic Information
| ChEMBL ID | CHEMBL292868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNVQMRWAJHEFGZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
3.28
ALogP
6
HBA
0
HBD
116.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Benzodiazepine receptors; peripheral & central CHEMBL2096683 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.58 | 7.58 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Benzodiazepine receptors; peripheral & central | Ki | = | 1.5 | nM | 8.82 | Binding affinity to benzodiazepine receptor (unknown origin) | 25019478 |
| GABA-A receptor; anion channel | Ki | = | 12.02 | nM | 7.92 | Binding affinity towards benzodiazepine site in GABAA receptor | 11384234 |
| GABA-A receptor; anion channel | Ki | = | 12.0 | nM | 7.92 | Inhibition of [3H]flunitrazepam binding to GABA-A central benzodiazepine recepto... | - |
| GABA-A receptor; anion channel | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re... | - |
| GABA-A receptor; anion channel | Ki | = | 26.0 | nM | 7.58 | In vitro affinity against Benzodiazepine receptor binding to rat cortical membra... | 10543878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543878 | 10.1021/jm991010h | GABA-A receptor; anion channel | 2 |
| - | 10.1016/S0960-894X(97)00343-0 | GABA-A receptor; anion channel | 1 |
| 11384234 | 10.1021/jm000557p | GABA-A receptor; anion channel | 1 |
| - | 10.1016/0960-894X(95)00464-5 | GABA-A receptor; anion channel | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 25019478 | 10.1016/j.ejmech.2014.07.013 | Benzodiazepine receptors; peripheral & central | 1 |
Data from ChEMBL 36 via Core Engine