Compound Detail
CHEMBL544302
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Basic Information
| ChEMBL ID | CHEMBL544302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJVKTRWFCWIBOO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192977 |
| Active Moiety | CHEMBL1192977 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.59
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.32
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 100.0 | nM | 7.0 | Affinity for GABA-A receptor alpha by inhibiting binding of [3H]muscimol to rat ... | 12036354 |
| Mus musculus | IC50 | = | 480.0 | nM | 6.32 | Electrophysiology using Whole-cell patch-clamp recordings in mouse embryos | 12036354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036354 | 10.1021/jm020027o | GABA-A receptor; anion channel | 1 |
| 12036354 | 10.1021/jm020027o | Gamma-aminobutyric acid type B receptor subunit 1 | 1 |
| 12036354 | 10.1021/jm020027o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine