Compound Detail
CHEMBL112298
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Basic Information
| ChEMBL ID | CHEMBL112298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAXUHLQDLCUOHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.84
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.82 | 6.7 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 150.0 | nM | 6.82 | Binding affinity against the BZD site of the Gamma-aminobutyric acid A receptor ... | - |
| GABA-A receptor; anion channel | IC50 | = | 260.0 | nM | 6.58 | Binding affinity against the BZD site of the Gamma-aminobutyric acid A receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00025-X | GABA-A receptor; anion channel | 3 |
| - | 10.1016/0960-894X(96)00025-X | Mus sp. | 2 |
Data from ChEMBL 36 via Core Engine