Compound Detail
CHEMBL3142709
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Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]1O)OC2
Basic Information
| ChEMBL ID | CHEMBL3142709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMJHRNDSKIJAMX-SYRLMVSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
1.54
ALogP
9
HBA
2
HBD
129.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 36000.0 | nM | 4.44 | Inhibitory activity towards human butyrylcholinesterase | 15139762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139762 | 10.1021/jm031032a | Acetylcholinesterase | 1 |
| 15139762 | 10.1021/jm031032a | Cholinesterase | 1 |
| 15139762 | 10.1021/jm031032a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine