Compound Detail
CHEMBL4534747
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Basic Information
| ChEMBL ID | CHEMBL4534747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJAPTIYVAZHBLF-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
4.25
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Ki | 5.05 | 4.78 | 8820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 8820.0 | nM | 5.05 | Mixed inhibition of electric eel AChE using acetylcholine iodide as substrate pr... | 31158743 |
| Acetylcholinesterase | Ki | = | 30920.0 | nM | 4.51 | Mixed inhibition of electric eel AChE using butyrylcholine iodide as substrate p... | 31158743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158743 | 10.1016/j.ejmech.2019.05.059 | Acetylcholinesterase | 3 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine