Compound Detail
CHEMBL4465285
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O=C(/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCCc1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4465285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCMBRRBMZOAXNH-VPIMWYQZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1181.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | Ki | 6.14 | 5.945 | 720.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 720.0 | nM | 6.14 | Mixed inhibition of electric eel AChE using acetylcholine iodide as substrate pr... | 31158743 |
| Acetylcholinesterase | Ki | = | 1800.0 | nM | 5.75 | Mixed inhibition of electric eel AChE using butyrylcholine iodide as substrate p... | 31158743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31158743 | 10.1016/j.ejmech.2019.05.059 | Acetylcholinesterase | 3 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | Cholinesterase | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | HT-29 | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | A2780 | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | MCF7 | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | SW-1736 | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | NIH3T3 | 1 |
| 31158743 | 10.1016/j.ejmech.2019.05.059 | FaDu | 1 |
Data from ChEMBL 36 via Core Engine