Compound Detail
CHEMBL129886
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Basic Information
| ChEMBL ID | CHEMBL129886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOOLVSGWJUFBES-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
0.53
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.11
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.11 | 7.4867 | 0.8 | 3 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Muscarinic acetylcholine receptors; M2 & M3 CHEMBL2095187 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 0.78 | nM | 9.11 | In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... | 7990109 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 35.0 | nM | 7.46 | In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... | 7990109 |
| Muscarinic acetylcholine receptors; M2 & M3 | EC50 | = | 130.0 | nM | 6.89 | M2/M3 agonist activity estimated by contraction of isolated guinea pig ileum | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 160.0 | nM | 6.8 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 280.0 | nM | 6.55 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 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 receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine