Compound Detail
CHEMBL5434888
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Basic Information
| ChEMBL ID | CHEMBL5434888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPCRHFHUQHNFIU-NVMNQCDNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.73
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pr... | 38516603 |
| Acetylcholinesterase | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate... | 38516603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516603 | 10.1039/d3md00708a | Cholinesterase | 1 |
| 38516603 | 10.1039/d3md00708a | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine