Compound Detail
CHEMBL545424
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Basic Information
| ChEMBL ID | CHEMBL545424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLAMCKDYKMHCML-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193936 |
| Active Moiety | CHEMBL1193936 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
0.56
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 40.0 | nM | 7.4 | Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain sy... | - |
| GABA-A receptor; anion channel | IC50 | = | 230.0 | nM | 6.64 | Binding affinity against Gamma-aminobutyric acid A receptor in rat brain synapto... | - |
| Cavia porcellus | IC50 | = | 4200.0 | nM | 5.38 | Compound was tested for its effect on EFS stimulated neuronal cholinergic contra... | - |
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