Compound Detail
CHEMBL357444
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Basic Information
| ChEMBL ID | CHEMBL357444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPDAFPDJKSGPME-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.76
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 220.0 | nM | 6.66 | Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacem... | 7853341 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 410.0 | nM | 6.39 | Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacem... | 7853341 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 740.0 | nM | 6.13 | Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacem... | 7853341 |
| Muscarinic acetylcholine receptor | Ki | = | 870.0 | nM | 6.06 | Binding affinity for muscarinic acetylcholine receptor by measuring displacement... | 7853341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7853341 | 10.1021/jm00003a011 | Muscarinic acetylcholine receptor | 2 |
| 7853341 | 10.1021/jm00003a011 | Muscarinic acetylcholine receptor M1 | 1 |
| 7853341 | 10.1021/jm00003a011 | Muscarinic acetylcholine receptor M2 | 1 |
| 7853341 | 10.1021/jm00003a011 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine