Compound Detail
CHEMBL39831
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Basic Information
| ChEMBL ID | CHEMBL39831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFUYUHUMUJGJHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
4.28
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 6.3 | nM | 8.2 | In vitro inhibitory against Gamma-aminobutyric acid A receptor from rat cerebral... | 10386933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386933 | 10.1016/s0960-894x(99)00240-1 | GABA-A receptor; anion channel | 2 |
| 10386933 | 10.1016/s0960-894x(99)00240-1 | Mus musculus | 2 |
| 10386933 | 10.1016/s0960-894x(99)00240-1 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine