Compound Detail
CHEMBL138107
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Basic Information
| ChEMBL ID | CHEMBL138107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEXADSKXZBGTNK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.84
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Acetylcholinesterase CHEMBL3198 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 4.37 | 4.37 | 42325.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1.2 | nM | 8.92 | In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained f... | 1469686 |
| Acetylcholinesterase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of AChE | 20053484 |
| Butyrylcholinesterase | IC50 | = | 42325.0 | nM | 4.37 | In vitro inhibitory concentration against Butyrylcholinesterase obtained from ra... | 1469686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469686 | 10.1021/jm00102a005 | Acetylcholinesterase | 1 |
| 1469686 | 10.1021/jm00102a005 | Butyrylcholinesterase | 1 |
| 1469686 | 10.1021/jm00102a005 | Unchecked | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine