Compound Detail
CHEMBL12324
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Basic Information
| ChEMBL ID | CHEMBL12324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUQPWMFRKQMTJR-HZMBPMFUSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.93
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1819.7 | nM | 5.74 | Inhibitory activity against acetylcholinesterase in human erythrocytes | 11141093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141093 | 10.1021/jm000991r | Acetylcholinesterase | 1 |
| 11141093 | 10.1021/jm000991r | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine