Compound Detail
CHEMBL299708
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Basic Information
| ChEMBL ID | CHEMBL299708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHAJWHZJGVUZRT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.7
MW (Da)
5.03
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 9.25 | 9.25 | 0.6 | 1 |
| Acetylcholinesterase CHEMBL3198 | IC50 | 9.22 | 9.22 | 0.6 | 2 |
| Butyrylcholinesterase CHEMBL3403 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.56 | nM | 9.25 | Inhibitory activity against mouse brain Acetylcholinesterase | 2362265 |
| Acetylcholinesterase | IC50 | = | 0.5998 | nM | 9.22 | Inhibition against Acetylcholinesterase (AChE) | 8558505 |
| Acetylcholinesterase | IC50 | = | 0.6 | nM | 9.22 | Inhibitory activity against mouse brain Acetylcholinesterase | 2362265 |
| Butyrylcholinesterase | IC50 | = | 10100.0 | nM | 5.0 | Inhibitory activity against rat butyrylcholinesterase enzyme (BuChE) | 2362265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362265 | 10.1021/jm00169a008 | Acetylcholinesterase | 8 |
| 8558505 | 10.1021/jm950704x | Acetylcholinesterase | 1 |
| 2362265 | 10.1021/jm00169a008 | Butyrylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine