Compound Detail
CHEMBL525622
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Basic Information
| ChEMBL ID | CHEMBL525622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIBZSTPMDKSJOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
2.63
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4780 | Ki | 10.82 | 10.82 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 0.015 | nM | 10.82 | Inhibition of Torpedo californica AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine