Compound Detail
CHEMBL355821
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Basic Information
| ChEMBL ID | CHEMBL355821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUFQLZTXIWKION-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
2.33
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.62 | 5.5567 | 2370.0 | 3 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of BuChE (unknown origin) | 34742016 |
| Cholinesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of BChE (unknown origin) | 38701714 |
| Acetylcholinesterase | IC50 | = | 2370.0 | nM | 5.62 | Inhibition of AChE (unknown origin) | 34742016 |
| Acetylcholinesterase | IC50 | = | 2370.0 | nM | 5.62 | Inhibition of AChE (unknown origin) | 38701714 |
| Acetylcholinesterase | IC50 | = | 3720.0 | nM | 5.43 | Inhibitory activity against acetylcholinesterase in human RBC | - |
| Acetylcholinesterase | IC50 | = | 18000.0 | nM | 4.75 | Inhibitory activity against acetylcholinesterase in rat brain | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00102-3 | Acetylcholinesterase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Acetylcholinesterase | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Cholinesterase | 1 |
| 38701714 | 10.1016/j.ejmech.2024.116450 | Acetylcholinesterase | 1 |
| 38701714 | 10.1016/j.ejmech.2024.116450 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine