Compound Detail
CHEMBL140746
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Basic Information
| ChEMBL ID | CHEMBL140746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNPRSBGYHUWXQJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.8
MW (Da)
4.88
ALogP
10
HBA
0
HBD
58.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.1
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 14.0 | nM | 7.85 | Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displ... | 11741475 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 79.0 | nM | 7.1 | Agonistic activity against M1 muscarinic receptor expressed in A9 L cells. | 11741475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M1 | 3 |
Data from ChEMBL 36 via Core Engine