Compound Detail
CHEMBL214467
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Basic Information
| ChEMBL ID | CHEMBL214467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRBWAIWJMGLCDO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
3.58
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.88 | 5.74 | 1334.0 | 4 |
| Cholinesterase CHEMBL1914 | IC50 | 5.07 | 5.07 | 8490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1334.0 | nM | 5.88 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 1367.0 | nM | 5.86 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 1687.0 | nM | 5.77 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 3585.0 | nM | 5.45 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Cholinesterase | IC50 | = | 8490.0 | nM | 5.07 | Inhibition of human serum BChE | 17154513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154513 | 10.1021/jm060945c | Acetylcholinesterase | 6 |
| 17154513 | 10.1021/jm060945c | Cholinesterase | 2 |
Data from ChEMBL 36 via Core Engine