Compound Detail
CHEMBL305739
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Basic Information
| ChEMBL ID | CHEMBL305739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXYBORNWQKKIFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.0
MW (Da)
5.60
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057278 | 10.1021/jm00041a007 | Rattus norvegicus | 8 |
| 8057278 | 10.1021/jm00041a007 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine