Compound Detail
CHEMBL3274851
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Basic Information
| ChEMBL ID | CHEMBL3274851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRKDDZBVSZLOFS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
3.38
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 926122 | 10.1021/jm00219a019 | Mus musculus | 4 |
| 926122 | 10.1021/jm00219a019 | Felis catus | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine