Compound Detail
CHEMBL3221009
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Basic Information
| ChEMBL ID | CHEMBL3221009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUENBTRQOPYVCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.8
MW (Da)
9.44
ALogP
4
HBA
3
HBD
66.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4780 | IC50 | 9.04 | 7.73 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.908 | nM | 9.04 | Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as subst... | - |
| Acetylcholinesterase | IC50 | = | 385.0 | nM | 6.42 | Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as subst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00256A | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine