Compound Detail
CHEMBL54968
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Basic Information
| ChEMBL ID | CHEMBL54968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLFFRGDGVGTTAT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.33
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.97 | 6.97 | 106.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 106.0 | nM | 6.97 | In vitro displacement of [3H]diazepam from GABA-A benzodiazepine receptor in rat... | 3031296 |
| GABA-A receptor; anion channel | IC50 | = | 106.0 | nM | 6.97 | In vitro inhibition of binding to the benzodiazepine receptor in rat cerebral co... | 2842507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3031296 | 10.1021/jm00387a033 | Mus musculus | 2 |
| 3031296 | 10.1021/jm00387a033 | GABA-A receptor; anion channel | 1 |
| 2842507 | 10.1021/jm00117a029 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine