Compound Detail
CHEMBL382791
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Basic Information
| ChEMBL ID | CHEMBL382791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INIXNNKFVDXPBJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.27
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.64 | 6.64 | 229.1 | 2 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 6.36 | 6.355 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 230.0 | nM | 6.64 | Binding affinity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ooc... | 16480274 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 229.09 | nM | 6.64 | Binding affinity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ooc... | 16480274 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 440.0 | nM | 6.36 | Displacement of [3H]muscimol from GABAA alpha-1-beta-3-gamma-2S in rat brain mem... | 16480274 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 446.68 | nM | 6.35 | Displacement of [3H]muscimol from GABAA alpha-1-beta-3-gamma-2S in rat brain mem... | 16480274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480274 | 10.1021/jm050987l | GABA A receptor alpha-5/beta-3/gamma-2 | 2 |
| 16480274 | 10.1021/jm050987l | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine