Compound Detail
CHEMBL3409454
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CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc4cccc(NC(=O)CCCCC5CCSS5)c4)O[C@H](CO)[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O.[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3409454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KETRJYNQZQBYGA-YZCSXDLMSA-K |
| Parent Compound | CHEMBL3559177 |
| Active Moiety | CHEMBL3559177 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1459.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 2 | Kd | = | 5.6 | nM | 8.25 | Binding affinity to FGF2 (unknown origin) assessed as change in luminance intens... | 25752983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752983 | 10.1016/j.bmcl.2015.02.011 | Fibroblast growth factor 2 | 1 |
Data from ChEMBL 36 via Core Engine