Compound Detail
CHEMBL2393101
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Basic Information
| ChEMBL ID | CHEMBL2393101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXCAIUDLQBAWOY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.0
MW (Da)
6.93
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.64 | 8.205 | 2.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2.27 | nM | 8.64 | Inhibition of electric eel AChE using acetylthiocholine as substrate preincubate... | 23535563 |
| Acetylcholinesterase | IC50 | = | 16.9 | nM | 7.77 | 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 | 3 |
Data from ChEMBL 36 via Core Engine