Compound Detail
CHEMBL415799
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Basic Information
| ChEMBL ID | CHEMBL415799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEGRKPLAHWHWQQ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.40
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 6.41 | 6.35 | 389.0 | 4 |
| Cholinesterase CHEMBL1914 | IC50 | 6.22 | 5.705 | 601.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 225.0 | nM | 6.65 | Inhibition of human erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 389.0 | nM | 6.41 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 447.0 | nM | 6.35 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 482.0 | nM | 6.32 | Inhibition of bovine erythrocyte AChE | 17154513 |
| Acetylcholinesterase | IC50 | = | 478.0 | nM | 6.32 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Cholinesterase | IC50 | = | 601.0 | nM | 6.22 | Inhibition of human serum BChE | 17154513 |
| Cholinesterase | IC50 | = | 6480.0 | nM | 5.19 | 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