Compound Detail
CHEMBL541547
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Basic Information
| ChEMBL ID | CHEMBL541547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIEUGSDMFBJKCV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190751 |
| Active Moiety | CHEMBL1190751 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
-1.56
ALogP
5
HBA
3
HBD
120.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 80.0 | nM | 7.1 | Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain sy... | - |
| GABA-A receptor; anion channel | IC50 | = | 620.0 | nM | 6.21 | Binding affinity against Gamma-aminobutyric acid A receptor in rat brain synapto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00307-1 | Cavia porcellus | 2 |
| - | 10.1016/0960-894X(96)00307-1 | GABA B receptor | 1 |
| - | 10.1016/0960-894X(96)00307-1 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine