Compound Detail
CHEMBL318749
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Basic Information
| ChEMBL ID | CHEMBL318749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUQWYUVOFCIQRG-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1183802 |
| Active Moiety | CHEMBL1183802 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.62
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Acetylcholinesterase activity of calf forebrain | 9301662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301662 | 10.1021/jm970141k | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine