Compound Detail
CHEMBL81327
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Basic Information
| ChEMBL ID | CHEMBL81327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXXVUCJIQAMZSQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
128.1
MW (Da)
0.15
ALogP
4
HBA
2
HBD
72.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.28 | 4.275 | 52480.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 52480.75 | nM | 4.28 | Displacement of [3H]muscimol from GABAA receptor in rat synaptic membrane after ... | 23294161 |
| Unchecked | Ki | = | 54000.0 | nM | 4.27 | Displacement of [3H]muscimol from GABAA receptor in rat synaptic membrane after ... | 23294161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23294161 | 10.1021/jm301473k | Gamma-aminobutyric acid receptor subunit rho-1 | 2 |
| 23294161 | 10.1021/jm301473k | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 23294161 | 10.1021/jm301473k | Unchecked | 2 |
| 12036354 | 10.1021/jm020027o | GABA-A receptor; anion channel | 1 |
| 11150163 | 10.1021/jm000371q | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine