Compound Detail
CHEMBL92663
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Basic Information
| ChEMBL ID | CHEMBL92663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCXWMIZAVHITQO-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.77
ALogP
4
HBA
1
HBD
72.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.1
Ki 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 9.1 | 8.2333 | 0.8 | 6 |
| Acetylcholinesterase CHEMBL220 | Ki | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of acetylcholinesterase (unknown origin) by Ellman's method | 24148993 |
| Acetylcholinesterase | IC50 | = | 8.79 | nM | 8.06 | Inhibition against Acetylcholinesterase (AChE) | 8558505 |
| Acetylcholinesterase | IC50 | = | 8.8 | nM | 8.06 | Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from hu... | 8064800 |
| Acetylcholinesterase | IC50 | = | 8.8 | nM | 8.06 | Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay | 15481986 |
| Acetylcholinesterase | IC50 | = | 8.8 | nM | 8.06 | Inhibition of AChE | 20053484 |
| Acetylcholinesterase | IC50 | = | 8.71 | nM | 8.06 | Inhibition of human acetylcholinesterase | 21074294 |
| Acetylcholinesterase | Ki | = | 8.71 | nM | 8.06 | Binding affinity towards Acetylcholinesterase | 15481986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481986 | 10.1021/jm049695v | Acetylcholinesterase | 2 |
| 8558505 | 10.1021/jm950704x | Acetylcholinesterase | 1 |
| 8064800 | 10.1021/jm00043a012 | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
| 21074294 | 10.1016/j.ejmech.2010.10.009 | Acetylcholinesterase | 1 |
| 24148993 | 10.1016/j.ejmech.2013.09.050 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine