Compound Detail
CHEMBL4227873
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Basic Information
| ChEMBL ID | CHEMBL4227873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPJQFPBIFZYRLB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.12
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
| Brain CHEMBL4296527 | IC50 | 4.21 | 4.21 | 61820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5330.0 | nM | 5.27 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 29429576 |
| Brain | IC50 | = | 61820.0 | nM | 4.21 | Antioxidant activity in brain homogenate (unknown origin) assessed as decrease i... | 29429576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29429576 | 10.1016/j.bmc.2018.01.029 | Acetylcholinesterase | 2 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Cholinesterase | 2 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Mus musculus | 2 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Brain | 1 |
Data from ChEMBL 36 via Core Engine