Compound Detail
CHEMBL3276431
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Basic Information
| ChEMBL ID | CHEMBL3276431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRNVEBUVJKSDDW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3306936 |
| Active Moiety | CHEMBL3306936 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.84
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrylcholinesterase CHEMBL5077 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase | Ki | = | 11.0 | nM | 7.96 | Reversible competitive inhibition of horse serum butyrylcholinesterase using ace... | 592327 |
| Acetylcholinesterase | Ki | = | 21.0 | nM | 7.68 | Reversible competitive inhibition of electric eel acetylcholinesterase using ace... | 592327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 592327 | 10.1021/jm00222a016 | Acetylcholinesterase | 1 |
| 592327 | 10.1021/jm00222a016 | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine