Compound Detail
CHEMBL384563
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Basic Information
| ChEMBL ID | CHEMBL384563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVUKPUNERJXZRC-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
3.19
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.08 | 6.535 | 84.0 | 4 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.4 | 5.4 | 3980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 84.0 | nM | 7.08 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 98.0 | nM | 7.01 | Inhibition of human erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 161.0 | nM | 6.79 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 717.0 | nM | 6.14 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 741.0 | nM | 6.13 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Cholinesterase | IC50 | = | 3980.0 | nM | 5.4 | 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