Compound Detail
CHEMBL2220386
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Basic Information
| ChEMBL ID | CHEMBL2220386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXKSWSRHKZPWJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.60
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.21 | 4.21 | 61600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of bovine AChE | 35858523 |
| Cholinesterase | IC50 | = | 61600.0 | nM | 4.21 | Inhibition of equine BChE | 35858523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Unchecked | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine