Compound Detail
CHEMBL337676
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Basic Information
| ChEMBL ID | CHEMBL337676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWCDFRUNFDIIQT-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.07
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.64
EC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.64 | 6.6633 | 23.0 | 3 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.02 | 6.02 | 960.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 23.0 | nM | 7.64 | In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 280.0 | nM | 6.55 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 960.0 | nM | 6.02 | In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 1600.0 | nM | 5.8 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1900.0 | nM | 5.72 | M2 agonist activity estimated by depression of isolated guinea pig left atrium | 7990109 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 6400.0 | nM | 5.19 | In vitro ability to contract isolated guinea pig ileum was used to estimate M3 a... | 7990109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M2 | 4 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor | 3 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M1 | 2 |
| 7990109 | 10.1021/jm00050a006 | Rattus norvegicus | 2 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine