Compound Detail
CHEMBL1681891
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Basic Information
| ChEMBL ID | CHEMBL1681891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWIODYKZVMUKJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
5.38
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | IC50 | 6.34 | 6.34 | 461.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 | IC50 | = | 461.0 | nM | 6.34 | Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in ... | 21277199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21277199 | 10.1016/j.bmcl.2010.12.107 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 21277199 | 10.1016/j.bmcl.2010.12.107 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
Data from ChEMBL 36 via Core Engine