Compound Detail
CHEMBL143993
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Basic Information
| ChEMBL ID | CHEMBL143993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKLHMQIBLBZVKZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.41
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Ki 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.2 | 5.2 | 6300.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 6300.0 | nM | 5.2 | In vitro inhibition of [3H]muscimol to rat brain synaptic membranes | 11150163 |
| GABA-A receptor; anion channel | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of Gamma-aminobutyric acid A (GABA-A) receptor in vitro by whole-cell... | 11150163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150163 | 10.1021/jm000371q | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine