Compound Detail
CHEMBL2374003
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Basic Information
| ChEMBL ID | CHEMBL2374003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQPUWKFWGHITSP-NWDGAFQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.81
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.33 | 7.33 | 47.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 47.1 | nM | 7.33 | Inhibition of bovine erythrocyte AChE | 17154513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154513 | 10.1021/jm060945c | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine