Compound Detail
CHEMBL193370
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Basic Information
| ChEMBL ID | CHEMBL193370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUJKPXPABLQPRA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.26
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.68
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 7.68 | 20.9 | 3 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.7 | 6.7 | 198.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]muscimol from rat brain gamma-aminobutyric-acid GABA-A recep... | 15658856 |
| Unchecked | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain syn... | 17375905 |
| Unchecked | Ki | = | 20.89 | nM | 7.68 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Unchecked | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain mem... | - |
| Rattus norvegicus | IC50 | = | 198.0 | nM | 6.7 | In vitro concentration required to inhibit peak currents in cerebral cortical ne... | 15658856 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 198.0 | nM | 6.7 | Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ... | 17375905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17375905 | 10.1021/jm070038n | Unchecked | 2 |
| - | 10.1007/s00044-013-0583-7 | Unchecked | 2 |
| 15658856 | 10.1021/jm049256w | GABA-A receptor; anion channel | 1 |
| 15658856 | 10.1021/jm049256w | Rattus norvegicus | 1 |
| 17375905 | 10.1021/jm070038n | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine