Compound Detail
CHEMBL2059504
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2059504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIOZYABOKIUJFH-BNQQKVDMSA-A |
| Parent Compound | CHEMBL2079033 |
| Active Moiety | CHEMBL2079033 |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
2031.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Kd 3 meas. best 8.31
Ki 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 1 CHEMBL2120 | Kd | 8.31 | 8.31 | 4.9 | 1 |
| Heparanase CHEMBL3921 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.85 | 7.85 | 14.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.62 | 6.35 | 240.0 | 3 |
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 6.51 | 6.51 | 311.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 1 | Kd | = | 4.94 | nM | 8.31 | Binding affinity to FGF-1 by surface plasmon resonance assay | 22458531 |
| Heparanase | Ki | = | 9.1 | nM | 8.04 | Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based f... | 22458531 |
| Unchecked | Kd | = | 14.0 | nM | 7.85 | Binding affinity to VEGFR by surface plasmon resonance assay | 22458531 |
| HUVEC | IC50 | = | 240.0 | nM | 6.62 | Antiangiogenic activity in VEGF-stimulated HUVEC cells after 72 hrs by CellTiter... | 22458531 |
| Fibroblast growth factor 2 | Kd | = | 311.0 | nM | 6.51 | Binding affinity to FGF-2 by surface plasmon resonance assay | 22458531 |
| HUVEC | IC50 | = | 470.0 | nM | 6.33 | Antiangiogenic activity in FGF1-stimulated HUVEC cells after 72 hrs by CellTiter... | 22458531 |
| HUVEC | IC50 | = | 800.0 | nM | 6.1 | Antiangiogenic activity in FGF2-stimulated HUVEC cells after 72 hrs by CellTiter... | 22458531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22458531 | 10.1021/jm201708h | HUVEC | 7 |
| 22458531 | 10.1021/jm201708h | NON-PROTEIN TARGET | 3 |
| 22458531 | 10.1021/jm201708h | Plasma | 2 |
| 22458531 | 10.1021/jm201708h | Fibroblast growth factor 1 | 1 |
| 22458531 | 10.1021/jm201708h | Fibroblast growth factor 2 | 1 |
| 22458531 | 10.1021/jm201708h | Unchecked | 1 |
| 22458531 | 10.1021/jm201708h | Heparanase | 1 |
Data from ChEMBL 36 via Core Engine