Compound Detail
CHEMBL351822
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Basic Information
| ChEMBL ID | CHEMBL351822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGPSOOBLOHAMJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.10
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]flunitrazepam from alpha-1-beta-2-gamma-2 GABA-A receptor su... | 8145225 |
| GABA-A receptor; anion channel | Ki | = | 0.58 | nM | 9.24 | Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor | 8145225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145225 | 10.1021/jm00032a008 | GABA-A receptor; anion channel | 2 |
| 8145225 | 10.1021/jm00032a008 | Unchecked | 2 |
| 8145225 | 10.1021/jm00032a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine