Compound Detail
CHEMBL389825
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Basic Information
| ChEMBL ID | CHEMBL389825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGNYJSHONXWUNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.12
ALogP
6
HBA
0
HBD
61.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.21 | 7.21 | 62.1 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 62.1 | nM | 7.21 | Inhibition of human recombinant AChE | 17655212 |
| Cholinesterase | IC50 | = | 52900.0 | nM | 4.28 | Inhibition of human recombinant BChE | 17655212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17655212 | 10.1021/jm070100g | Acetylcholinesterase | 2 |
| 17655212 | 10.1021/jm070100g | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine