Compound Detail
CHEMBL3246831
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Basic Information
| ChEMBL ID | CHEMBL3246831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGRWSFIQQPVEML-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
3.08
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 8.21 | 8.21 | 6.1 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 42799 | 10.1021/jm00197a021 | Mus musculus | 10 |
| 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