Compound Detail
CHEMBL109209
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Basic Information
| ChEMBL ID | CHEMBL109209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUINUICOEAZPLK-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
184.3
MW (Da)
1.32
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.73
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 5.73 | 5.73 | 1862.1 | 2 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 4.59 | 4.59 | 25704.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1300.0 | nM | 5.89 | Binding affinity against Gamma-aminobutyric acid A receptor in rat cerebral cort... | 7650683 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 1870.0 | nM | 5.73 | 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 | = | 1862.09 | nM | 5.73 | Displacement of [3H]muscimol from GABAA alpha-1-beta-3-gamma-2S in rat brain mem... | 16480274 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 25704.0 | nM | 4.59 | 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 | = | 25703.96 | nM | 4.59 | Binding affinity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ooc... | 16480274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650683 | 10.1021/jm00017a014 | No relevant target | 2 |
| 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 |
| 7650683 | 10.1021/jm00017a014 | GABA-A receptor; anion channel | 1 |
| 7650683 | 10.1021/jm00017a014 | GABA B receptor | 1 |
| 7650683 | 10.1021/jm00017a014 | Rattus norvegicus | 1 |
| 7650683 | 10.1021/jm00017a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine