Compound Detail
CHEMBL51850
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Basic Information
| ChEMBL ID | CHEMBL51850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAQXAXYRODEDPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
697.1
MW (Da)
7.18
ALogP
8
HBA
6
HBD
90.6
PSA (Ų)
0.04
QED
3
Ro5 Violations
37
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.44 | 6.44 | 363.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 363.08 | nM | 6.44 | 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 | Acetylcholine receptor | 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