Compound Detail
CHEMBL3125443
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Basic Information
| ChEMBL ID | CHEMBL3125443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTYZUZUNCFQNPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.34
ALogP
4
HBA
6
HBD
118.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of Electric eel AChE assessed as amount of thiocholine released using... | 24521095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24521095 | 10.1021/np401003p | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine