Compound Detail
CHEMBL2059242
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CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])[C@@H]2OS(=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 | CHEMBL2059242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQJJQXQZYLOORU-SAMKACTFSA-A |
| Parent Compound | CHEMBL2078834 |
| Active Moiety | CHEMBL2078834 |
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 6.22
Kd 3 meas. best 9.36
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 1 CHEMBL2120 | Kd | 9.36 | 9.36 | 0.4 | 1 |
| Heparanase CHEMBL3921 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.4 | 7.4 | 40.0 | 1 |
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 6.97 | 6.97 | 108.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.22 | 6.0633 | 600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 1 | Kd | = | 0.44 | nM | 9.36 | Binding affinity to FGF-1 by surface plasmon resonance assay | 22458531 |
| Heparanase | Ki | = | 6.0 | nM | 8.22 | Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based f... | 22458531 |
| Unchecked | Kd | = | 40.0 | nM | 7.4 | Binding affinity to VEGFR by surface plasmon resonance assay | 22458531 |
| Fibroblast growth factor 2 | Kd | = | 108.0 | nM | 6.97 | Binding affinity to FGF-2 by surface plasmon resonance assay | 22458531 |
| HUVEC | IC50 | = | 600.0 | nM | 6.22 | Antiangiogenic activity in VEGF-stimulated HUVEC cells after 72 hrs by CellTiter... | 22458531 |
| HUVEC | IC50 | = | 700.0 | nM | 6.16 | Antiangiogenic activity in FGF2-stimulated HUVEC cells after 72 hrs by CellTiter... | 22458531 |
| HUVEC | IC50 | = | 1540.0 | nM | 5.81 | Antiangiogenic activity in FGF1-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