Compound Detail
CHEMBL129719
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL129719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYJRQUCFOMGAHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.7
MW (Da)
7.92
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrylcholinesterase CHEMBL5077 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase | Ki | = | 10.0 | nM | 8.0 | Inhibition of Equine Butyrylcholinesterase | 12502352 |
| Acetylcholinesterase | Ki | = | 210.0 | nM | 6.68 | Inhibition of fetal Bovine serum AChE | 12502352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502352 | 10.1021/jm0255668 | Acetylcholinesterase | 1 |
| 12502352 | 10.1021/jm0255668 | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine