Compound Detail
CHEMBL4292703
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Basic Information
| ChEMBL ID | CHEMBL4292703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKOVPWSSZFDYPG-WUKNDPDISA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.5
MW (Da)
6.11
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.49
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Ki | 5.49 | 5.375 | 3210.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 3210.0 | nM | 5.49 | Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as sub... | 30220607 |
| Acetylcholinesterase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 30220607 |
| Acetylcholinesterase | Ki | = | 5510.0 | nM | 5.26 | Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as sub... | 30220607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Acetylcholinesterase | 4 |
| 30220607 | 10.1016/j.bmcl.2018.09.013 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine