Compound Detail
CHEMBL542961
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Basic Information
| ChEMBL ID | CHEMBL542961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOKIYMPGYIPTBX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191812 |
| Active Moiety | CHEMBL1191812 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
5.37
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibition of [3H]GABA uptake in rat Hippocampal slices. | 1433224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433224 | 10.1021/jm00100a032 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine