Compound Detail
CHEMBL132531
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Basic Information
| ChEMBL ID | CHEMBL132531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRVJIACNHMGJG-CTNGQTDRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.3 | 5.3 | 5020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 260.0 | nM | 6.58 | In vitro inhibition of human erythrocyte acetylcholinesterase. | 11708910 |
| Cholinesterase | IC50 | = | 5020.0 | nM | 5.3 | In vitro inhibition of human plasma butyrylcholinesterase. | 11708910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708910 | 10.1021/jm010080x | Acetylcholinesterase | 1 |
| 11708910 | 10.1021/jm010080x | Cholinesterase | 1 |
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine