Compound Detail
CHEMBL2303775
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CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCN(C(C)=O)[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(=O)O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2303775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICMMNBBJDDHDJD-ICAOKRACSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1061.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P-selectin CHEMBL5378 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P-selectin | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against Selectin P IgG chimera binding to HL-60 cells, by bi... | 8676335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676335 | 10.1021/jm950914+ | P-selectin | 1 |
Data from ChEMBL 36 via Core Engine