Compound Detail
CHEMBL3322866
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Basic Information
| ChEMBL ID | CHEMBL3322866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMKZZQPPJRWDED-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
138.1
MW (Da)
0.36
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 4.72 | 4.72 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 19054.61 | nM | 4.72 | Displacement of [3H]muscimol from GABAA receptor in SPRD rat brain synaptic memb... | 25038482 |
| GABA-A receptor; anion channel | Ki | = | 19000.0 | nM | 4.72 | Displacement of [3H]muscimol from GABAA receptor in SPRD rat brain synaptic memb... | 25038482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; anion channel | 2 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-amino-acid oxidase | 1 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-aspartate oxidase | 1 |
Data from ChEMBL 36 via Core Engine