Compound Detail
CHEMBL5268939
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](OO[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]6O[C@@H](COS(=O)(=O)[O-])[C@@H](O[C@H]7O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]7OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]6OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL5268939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXYPMEIJNWCJNF-UCSUVLOISA-D |
| Parent Compound | CHEMBL5315245 |
| Active Moiety | CHEMBL5315245 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1691.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heparanase CHEMBL3921 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heparanase | IC50 | = | 19.8 | nM | 7.7 | Inhibition of heparanase (unknown origin) incubated for 18 hrs by fondaparinux a... | 27240275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27240275 | 10.1016/j.ejmech.2016.05.052 | Heparanase | 1 |
Data from ChEMBL 36 via Core Engine