Compound Detail
CHEMBL168235
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Basic Information
| ChEMBL ID | CHEMBL168235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COJNXXNQJHVLHN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
611.0
MW (Da)
7.91
ALogP
6
HBA
2
HBD
49.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 165.96 | nM | 6.78 | Antagonist potency against muscarinic receptors was assed by antagonism of carba... | 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