Compound Detail
CHEMBL342958
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Basic Information
| ChEMBL ID | CHEMBL342958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBAPIQQREIVGBA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.36
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 6.12 | 6.12 | 760.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 170.0 | nM | 6.77 | Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacem... | 7853341 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 600.0 | nM | 6.22 | Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacem... | 7853341 |
| Muscarinic acetylcholine receptor | Ki | = | 760.0 | nM | 6.12 | Binding affinity for muscarinic acetylcholine receptor by measuring displacement... | 7853341 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1100.0 | nM | 5.96 | Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacem... | 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