Compound Detail
CHEMBL148043
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Basic Information
| ChEMBL ID | CHEMBL148043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVSLONTUMQMKRA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.39
ALogP
6
HBA
1
HBD
53.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.68
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | EC50 | 6.68 | 6.68 | 208.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | EC50 | 6.06 | 6.06 | 879.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 3.0 | nM | 8.52 | Binding affinity was determined by displacement of [3H]flumazenil from rat corte... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | EC50 | = | 208.0 | nM | 6.68 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | EC50 | = | 879.0 | nM | 6.06 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
| 12408715 | 10.1021/jm0202019 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine