Compound Detail
CHEMBL319451
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Basic Information
| ChEMBL ID | CHEMBL319451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BISIFJGUTDFVFR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
2.19
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.39 | 6.39 | 411.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.32 | 6.3 | 476.0 | 2 |
| Acetylcholinesterase CHEMBL3198 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 411.0 | nM | 6.39 | Inhibition of Acetylcholinesterase in rat red blood cell | 8709135 |
| Acetylcholinesterase | IC50 | = | 476.0 | nM | 6.32 | Inhibition of Acetylcholinesterase in monkey red blood cell | 8709135 |
| Acetylcholinesterase | IC50 | = | 521.0 | nM | 6.28 | Inhibition of Acetylcholinesterase in human red blood cell | 8709135 |
| Acetylcholinesterase | IC50 | = | 1430.0 | nM | 5.84 | Inhibition of Acetylcholinesterase in mouse red blood cell | 8709135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709135 | 10.1021/jm9602266 | Acetylcholinesterase | 4 |
Data from ChEMBL 36 via Core Engine