Compound Detail
CHEMBL337999
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 | CHEMBL337999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVQQQWJNOUYSPP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.35
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.82 | nM | 9.09 | Inhibition of rat acetylcholinesterase (AChE) | 9767635 |
| Acetylcholinesterase | IC50 | = | 0.82 | nM | 9.09 | Inhibition of AChE | 20053484 |
| Butyrylcholinesterase | IC50 | = | 83.0 | nM | 7.08 | Inhibition of isolated Butyrylcholinesterase (BuChE ) | 9767635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767635 | 10.1021/jm9810046 | Acetylcholinesterase | 2 |
| 9767635 | 10.1021/jm9810046 | Butyrylcholinesterase | 1 |
| 9767635 | 10.1021/jm9810046 | Cholinesterases; ACHE & BCHE | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine