Compound Detail
CHEMBL597994
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Basic Information
| ChEMBL ID | CHEMBL597994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRRLMGZPIGNLJX-BHGWPJFGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.1
MW (Da)
6.08
ALogP
3
HBA
0
HBD
29.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of electric eel AChE by modified Ellman's method | 20149667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149667 | 10.1016/j.bmc.2010.01.002 | No relevant target | 5 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | Unchecked | 2 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | Acetylcholinesterase | 1 |
| 20149667 | 10.1016/j.bmc.2010.01.002 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine