Compound Detail
CHEMBL592624
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 | CHEMBL592624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYEHUGPUFOMJON-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
2.08
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Ki 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.16 | 4.8867 | 7000.0 | 3 |
| Acetylcholinesterase CHEMBL220 | Ki | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human AChE by modified Ellman's spectrophotometric method | 20189400 |
| Acetylcholinesterase | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human AChE at pH 8 | 26585276 |
| Acetylcholinesterase | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of human AChE at pH 6 | 26585276 |
| Acetylcholinesterase | Ki | = | 76000.0 | nM | 4.12 | Inhibition of human AChE assessed as equilibrium binding by modified Ellman's sp... | 20189400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26585276 | 10.1016/j.bmc.2015.10.044 | No relevant target | 3 |
| 20189400 | 10.1016/j.bmc.2010.01.063 | Acetylcholinesterase | 2 |
| 23095026 | 10.1021/jm301216x | Cutinase 1 | 2 |
| 23095026 | 10.1021/jm301216x | Unchecked | 2 |
| 26585276 | 10.1016/j.bmc.2015.10.044 | Acetylcholinesterase | 2 |
| 23095026 | 10.1021/jm301216x | Gastric triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic lipase-related protein 2 | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Monoacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine