Compound Detail
CHEMBL4577484
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Basic Information
| ChEMBL ID | CHEMBL4577484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUFRQYVSJJHEKT-XKGZKEIXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.5
MW (Da)
5.93
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.19 | 4.19 | 64400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 64400.0 | nM | 4.19 | Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as su... | 31429569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31429569 | 10.1021/acs.jnatprod.9b00233 | Acetylcholinesterase | 2 |
| 31429569 | 10.1021/acs.jnatprod.9b00233 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine