Compound Detail
CHEMBL1797236
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Basic Information
| ChEMBL ID | CHEMBL1797236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSNFYOWSNHPPKG-WAYWQWQTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.5
MW (Da)
6.80
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.76 | 4.76 | 17224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 17224.0 | nM | 4.76 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 21641207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641207 | 10.1016/j.bmcl.2011.04.065 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine