Compound Detail
CHEMBL132285
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Basic Information
| ChEMBL ID | CHEMBL132285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBXFNMRCSJBKBI-GGAORHGYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.73
ALogP
5
HBA
1
HBD
48.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.11 | 5.855 | 780.4 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 5.41 | 5.41 | 3890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 780.4 | nM | 6.11 | Inhibition of human AChE by Ellmans test | 20684567 |
| Acetylcholinesterase | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibition of human erythrocyte acetylcholinesterase. | 11708910 |
| Cholinesterase | IC50 | = | 3890.0 | nM | 5.41 | In vitro inhibition of human plasma butyrylcholinesterase. | 11708910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 2 |
| 11708910 | 10.1021/jm010080x | Acetylcholinesterase | 1 |
| 11708910 | 10.1021/jm010080x | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine