Compound Detail
CHEMBL2058986
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 | CHEMBL2058986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUYVEBCAXRVGSI-IFMALSPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.22
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of AChE in Wistar rat brain homogenate using acetylthiocholine iodide... | 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