Compound Detail
CHEMBL558873
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CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5
Basic Information
| ChEMBL ID | CHEMBL558873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLYPONLPAHPYMG-UWHLTILDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | Ki | 6.6 | 6.59 | 251.2 | 2 |
| Acetylcholinesterase CHEMBL220 | Ki | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | Ki | = | 251.19 | nM | 6.6 | Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline | 19428250 |
| Cytochrome P450 3A4 | Ki | = | 260.0 | nM | 6.58 | Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline | 19428250 |
| Acetylcholinesterase | Ki | = | 860.0 | nM | 6.07 | Inhibition of AChE by Ellman's assay | 20655219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19428250 | 10.1016/j.bmcl.2009.04.086 | Cytochrome P450 3A4 | 2 |
| 20655219 | 10.1016/j.bmcl.2010.06.130 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine