Compound Detail
CHEMBL133047
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Basic Information
| ChEMBL ID | CHEMBL133047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRLDDRHSHCPJQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
153.2
MW (Da)
0.43
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 56000.0 | nM | 4.25 | Binding affinity in vivo for gamma-aminobutyric-acid A receptor measured by its ... | 1331456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331456 | 10.1021/jm00100a015 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine