Compound Detail
CHEMBL1782718
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Basic Information
| ChEMBL ID | CHEMBL1782718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVOUDCCPOUYBDE-LAUBAEHRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.94
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of muscarinic receptor in rat brain synaptosomes | 21459491 |
| Cholinesterase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate a... | 21459491 |
| Acetylcholinesterase | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substr... | 21459491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Acetylcholinesterase | 1 |
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Cholinesterase | 1 |
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Unchecked | 1 |
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine