Compound Detail
CHEMBL2303815
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CO[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H](O[C@H]3O[C@@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](O[C@H]5O[C@@H](COS(=O)(=O)O)[C@@H](OC)[C@H](OC)[C@@H]5OC)[C@H](OC)[C@@H]4OC)[C@H](OS(=O)(=O)O)[C@@H]3OS(=O)(=O)O)[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL2303815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJBMORBNKXNZSF-RMQIDDQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1529.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Antithrombin-III CHEMBL1950 | Kd | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Antithrombin-III | Kd | = | 1.9 | nM | 8.72 | In vitro binding affinity against antithrombin III (AT III) was determined by fl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00252-7 | Antithrombin-III | 1 |
| - | 10.1016/S0960-894X(97)00252-7 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine