Compound Detail
CHEMBL2393090
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Basic Information
| ChEMBL ID | CHEMBL2393090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWXUIRXYJSLLKC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.8
MW (Da)
3.92
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.42 | 7.3 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 38.0 | nM | 7.42 | Inhibition of electric eel AChE using acetylthiocholine as substrate preincubate... | 23535563 |
| Acetylcholinesterase | IC50 | = | 65.8 | nM | 7.18 | Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish pe... | 23535563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23535563 | 10.1016/j.bmc.2013.02.047 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine