Compound Detail
CHEMBL592433
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Basic Information
| ChEMBL ID | CHEMBL592433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBANMOPKOHITOL-NZFNHWASSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
1.69
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.52
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.52 | 4.52 | 30000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of human AChE by modified Ellman's spectrophotometric method | 20189400 |
| Acetylcholinesterase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of human AChE at pH 8 | 26585276 |
| Acetylcholinesterase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate... | 28404526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189400 | 10.1016/j.bmc.2010.01.063 | Acetylcholinesterase | 2 |
| 26585276 | 10.1016/j.bmc.2015.10.044 | Acetylcholinesterase | 2 |
| 28404526 | 10.1016/j.bmc.2017.03.058 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine