Compound Detail
CHEMBL331588
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Basic Information
| ChEMBL ID | CHEMBL331588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBSJMFVQGZPGLQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
0.76
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 32000.0 | nM | 4.5 | Binding affinity against Gamma-aminobutyric acid A receptor in rat cerebral cort... | 7650683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650683 | 10.1021/jm00017a014 | No relevant target | 2 |
| 7650683 | 10.1021/jm00017a014 | GABA-A receptor; anion channel | 1 |
| 7650683 | 10.1021/jm00017a014 | GABA B receptor | 1 |
| 7650683 | 10.1021/jm00017a014 | Rattus norvegicus | 1 |
| 7650683 | 10.1021/jm00017a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine