Compound Detail
CHEMBL166803
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O=[N+]([O-])c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL166803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGZMQFHXEWQEDZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
612.9
MW (Da)
7.02
ALogP
8
HBA
4
HBD
134.4
PSA (Ų)
0.04
QED
2
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.02 | 7.02 | 95.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.88 | 5.88 | 1318.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 95.5 | nM | 7.02 | Antagonist potency against carbachol induced inhibition of electrically stimulat... | 2909747 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1318.26 | nM | 5.88 | Antagonist potency against carbachol induced contractions of isolated guinea pig... | 2909747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptor M2 | 1 |
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptor M3 | 1 |
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine