Compound Detail
CHEMBL272229
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Basic Information
| ChEMBL ID | CHEMBL272229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YECKWNRTEHRPOA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.71
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 5.2 | nM | 8.28 | Inhibition of BuChE by Ellman's assay | 18232655 |
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of AChE by Ellman's assay | 18232655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18232655 | 10.1021/jm701491k | Acetylcholinesterase | 1 |
| 18232655 | 10.1021/jm701491k | Cholinesterase | 1 |
| 18232655 | 10.1021/jm701491k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine