Compound Detail
CHEMBL140020
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Basic Information
| ChEMBL ID | CHEMBL140020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAEXMNKDGJNLTA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.33
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against Acetylcholinesterase | 8978837 |
| Acetylcholinesterase | IC50 | = | 7.998 | nM | 8.1 | Inhibition acetylcholinesterase (AChE) enzyme. | 9435905 |
| Acetylcholinesterase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of bovine AChE by Ellman's method | 18585045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978837 | 10.1021/jm950771r | Acetylcholinesterase | 1 |
| 9435905 | 10.1021/jm970488n | Acetylcholinesterase | 1 |
| 18585045 | 10.1016/j.bmc.2008.06.022 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine