Compound Detail
CHEMBL416586
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Basic Information
| ChEMBL ID | CHEMBL416586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOOGXPYATKQKBK-IAXKEJLGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
4.65
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.44 | 7.12 | 36.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 36.0 | nM | 7.44 | In vitro inhibitory activity against human AchE (Acetylcholinesterase) | 1573636 |
| Acetylcholinesterase | IC50 | = | 58.0 | nM | 7.24 | In vitro inhibitory activity against human AchE (Acetylcholinesterase) | 1573636 |
| Acetylcholinesterase | IC50 | = | 211.0 | nM | 6.68 | In vitro inhibitory activity against human AchE (Acetylcholinesterase) | 1573636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573636 | 10.1021/jm00086a011 | Mus musculus | 4 |
| 1573636 | 10.1021/jm00086a011 | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine