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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

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H88N2O18S
MW 1061.34

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