Compound Detail
CHEMBL73431
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Basic Information
| ChEMBL ID | CHEMBL73431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZALQJREOWNARH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179387 |
| Active Moiety | CHEMBL1179387 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.21
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
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 |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.1 | 7.09 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 80.0 | nM | 7.1 | In vitro binding affinity against Muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 84.0 | nM | 7.08 | In vitro binding affinity against Muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613751 | 10.1021/jm00090a019 | Muscarinic acetylcholine receptor M1 | 2 |
| 1613751 | 10.1021/jm00090a019 | Cavia porcellus | 2 |
| 1613751 | 10.1021/jm00090a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine