Compound Detail
CHEMBL1242981
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Basic Information
| ChEMBL ID | CHEMBL1242981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIYIAVWWIGXXBQ-QWAKEFERSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.82
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of AChE (unknown origin) | 34923430 |
| Cholinesterase | IC50 | = | 27.0 | nM | 7.57 | Inhibition of BuChE (unknown origin) | 34923430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 1 |
| 34923430 | 10.1016/j.ejmech.2021.114044 | Acetylcholinesterase | 1 |
| 34923430 | 10.1016/j.ejmech.2021.114044 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine