Compound Detail
CHEMBL4085438
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Basic Information
| ChEMBL ID | CHEMBL4085438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIWTXEANXLJYNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
3.31
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Kd | = | 2000.0 | nM | 5.7 | Binding affinity to Electric eel AChE | 28404526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28404526 | 10.1016/j.bmc.2017.03.058 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine