Compound Detail
CHEMBL55333
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Basic Information
| ChEMBL ID | CHEMBL55333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWUQWTPQOQFGAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
611.0
MW (Da)
7.31
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.36 | 5.36 | 4365.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4365.16 | nM | 5.36 | Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. | 11960498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960498 | 10.1021/jm011067f | Unchecked | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M2 | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine