Compound Detail
CHEMBL47331
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Basic Information
| ChEMBL ID | CHEMBL47331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKCHWWXGPFOIDE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
2.10
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.2 | 6.2 | 629.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 33.0 | nM | 7.48 | Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical hom... | - |
| Rattus norvegicus | IC50 | = | 629.0 | nM | 6.2 | In vitro inhibition of acetylcholine induced phosphatidyl inositol hydrolysis in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80368-6 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(00)80368-6 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80368-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine