Compound Detail
CHEMBL471977
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Basic Information
| ChEMBL ID | CHEMBL471977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBSNJCBFCWNPBH-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| GABA A receptor alpha-4/beta-3/gamma-2 CHEMBL2111366 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 CHEMBL2095190 | Ki | 7.23 | 7.23 | 58.6 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 6.84 | 6.84 | 143.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.71 | 6.71 | 197.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | Ki | 6.59 | 6.59 | 255.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-4/beta-3/gamma-2 | Ki | = | 2.61 | nM | 8.58 | Binding affinity to GABAA alpha-4-beta-3-gamma-2 receptor | 18537233 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 2.61 | nM | 8.58 | Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor | 18537233 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 | Ki | = | 58.6 | nM | 7.23 | Binding affinity to GABAA alpha-6-beta-3-gamma-2 receptor | 18537233 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 143.0 | nM | 6.84 | Binding affinity to GABAA alpha-2-beta-3-gamma-2 receptor | 18537233 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 197.0 | nM | 6.71 | Binding affinity to GABAA alpha-1-beta-3-gamma-2 receptor | 18537233 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Ki | = | 255.0 | nM | 6.59 | Binding affinity to GABAA alpha-3-beta-3-gamma-2 receptor | 18537233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18537233 | 10.1021/jm701433b | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 18537233 | 10.1021/jm701433b | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 18537233 | 10.1021/jm701433b | Gamma-aminobutyric acid receptor subunit alpha-3 | 1 |
| 18537233 | 10.1021/jm701433b | GABA A receptor alpha-4/beta-3/gamma-2 | 1 |
| 18537233 | 10.1021/jm701433b | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 18537233 | 10.1021/jm701433b | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine