Compound Detail
CHEMBL173694
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Basic Information
| ChEMBL ID | CHEMBL173694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEDDELXMBQXJGD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
0.63
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | Ki | 4.28 | 4.28 | 52110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 52110.0 | nM | 4.28 | Inhibitory activity against Acetylcholinesterase (AChE) | 11831902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831902 | 10.1021/jm010196t | Acetylcholinesterase | 3 |
| 11831902 | 10.1021/jm010196t | Butyrylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine