Compound Detail
CHEMBL109431
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Basic Information
| ChEMBL ID | CHEMBL109431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJVZCRJSOVHVNN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.95
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 126.0 | nM | 6.9 | Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes | 10464010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10464010 | 10.1021/jm980620z | Cholinesterase | 2 |
| 10464010 | 10.1021/jm980620z | Acetylcholinesterase | 1 |
| 10464010 | 10.1021/jm980620z | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine