Compound Detail
CHEMBL1782717
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Basic Information
| ChEMBL ID | CHEMBL1782717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTRVNRAJNZQPRH-FCHUYYIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
5.57
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate a... | 21459491 |
| Acetylcholinesterase | IC50 | = | 8300.0 | nM | 5.08 | 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 |
Data from ChEMBL 36 via Core Engine