Compound Detail
CHEMBL466738
NUDIPOSIDE 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 | CHEMBL466738 |
| Name | NUDIPOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWDZRGQRNHELQM-NHJKQUFYSA-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 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor HES-1 CHEMBL1075292 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor HES-1 | IC50 | = | 9600.0 | nM | 5.02 | Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation express... | 19716294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18396904 | 10.1021/np070565+ | NON-PROTEIN TARGET | 1 |
| 19716294 | 10.1016/j.bmcl.2009.07.146 | Transcription factor HES-1 | 1 |
Data from ChEMBL 36 via Core Engine