Compound Detail
CHEMBL5272250
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Basic Information
| ChEMBL ID | CHEMBL5272250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQWHWWDIFGNCLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.86
ALogP
4
HBA
0
HBD
47.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL343 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL341 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]-flumazenil from rat recombinant alpha1 GABAA receptor asses... | 33528252 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]-flumazenil from rat recombinant alpha2 GABAA receptor asses... | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Gamma-aminobutyric acid receptor subunit alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine