Compound Detail
CHEMBL5396284
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Basic Information
| ChEMBL ID | CHEMBL5396284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPPWPGNMZYYCN-NDENLUEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.68
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pr... | 38516603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516603 | 10.1039/d3md00708a | Cholinesterase | 3 |
| 38516603 | 10.1039/d3md00708a | No relevant target | 2 |
| 38516603 | 10.1039/d3md00708a | Acetylcholinesterase | 1 |
| 38516603 | 10.1039/d3md00708a | ADMET | 1 |
Data from ChEMBL 36 via Core Engine