Compound Detail
CHEMBL172733
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Basic Information
| ChEMBL ID | CHEMBL172733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUZJMSBCLSBRRD-WRWORJQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.16
ALogP
4
HBA
3
HBD
79.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 14700.0 | nM | 4.83 | Inhibition of acetylcholinesterase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80546-6 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80546-6 | Acetylcholinesterase | 1 |
| - | 10.1016/S0960-894X(00)80546-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine