Compound Detail
CHEMBL341447
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Basic Information
| ChEMBL ID | CHEMBL341447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGVRINLIZKXTQO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.8
MW (Da)
2.21
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 5400.0 | nM | 5.27 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
| Muscarinic acetylcholine receptor M4 | IC50 | = | 8000.0 | nM | 5.1 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 13000.0 | nM | 4.89 | In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinu... | 9435896 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 18000.0 | nM | 4.75 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M1 | 1 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M2 | 1 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M3 | 1 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine