Compound Detail
CHEMBL583884
LYONISIDE Enter ChEMBL ID:
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COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL583884 |
| Name | LYONISIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWDZRGQRNHELQM-VEKSOEEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
0.50
ALogP
12
HBA
6
HBD
176.8
PSA (Ų)
0.25
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor HES-1 CHEMBL1075292 | IC50 | 4.32 | 4.32 | 48100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor HES-1 | IC50 | = | 48100.0 | nM | 4.32 | Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation express... | 19716294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716294 | 10.1016/j.bmcl.2009.07.146 | Transcription factor HES-1 | 1 |
| 26978121 | 10.1016/j.ejmech.2015.12.002 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine