Compound Detail
CHEMBL54835
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Basic Information
| ChEMBL ID | CHEMBL54835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNRSKNABMKCTMC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.73
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3198 | IC50 | 7.06 | 7.06 | 87.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 87.9 | nM | 7.06 | Inhibition against Acetylcholinesterase (AChE) | 8558505 |
| Acetylcholinesterase | IC50 | = | 88.0 | nM | 7.06 | Inhibitory activity against mouse brain Acetylcholinesterase | 2362265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558505 | 10.1021/jm950704x | Acetylcholinesterase | 1 |
| 2362265 | 10.1021/jm00169a008 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine