Compound Detail
CHEMBL297276
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Basic Information
| ChEMBL ID | CHEMBL297276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYNSCFORRAXQPA-LWMIZPGFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.03
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 9.96 | 8.855 | 0.1 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.08 | 8.51 | 0.8 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 7.04 | 7.04 | 92.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.11 | nM | 9.96 | In vitro binding affinity against bovine striatal membrane using [3H]pirenzepine | 7752195 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.84 | nM | 9.08 | In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384 | 7752195 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 11.6 | nM | 7.94 | In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384 | 7752195 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 17.9 | nM | 7.75 | In vitro binding affinity against bovine striatal membrane using [3H]pirenzepine | 7752195 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 92.2 | nM | 7.04 | In vitro binding affinity against guinea pig ileum using [3H]N-methylscopolamine | 7752195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M1 | 2 |
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M2 | 2 |
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M3 | 2 |
Data from ChEMBL 36 via Core Engine