Compound Detail
CHEMBL2058980
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 | CHEMBL2058980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPOYSYKHNGGRMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.36
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 4.06 | 4.06 | 87300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3550.0 | nM | 5.45 | Inhibition of AChE in Wistar rat brain homogenate using acetylthiocholine iodide... | 22831800 |
| Butyrylcholinesterase | IC50 | = | 87300.0 | nM | 4.06 | Inhibition of BuChE in Wistar rat plasma using acetylthiocholine iodide as subst... | 22831800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22831800 | 10.1016/j.bmc.2012.06.048 | Acetylcholinesterase | 2 |
| 22831800 | 10.1016/j.bmc.2012.06.048 | Butyrylcholinesterase | 2 |
| 22831800 | 10.1016/j.bmc.2012.06.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine