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Compound Detail

CHEMBL4743493

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CCCCCCCCS[C@@]1(C(=O)O)C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743493
Phase Preclinical
Structure Type MOL
InChI Key YZSAXRNZASYRRG-VYIWNADRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
1.03
ALogP
7
HBA
5
HBD
136.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H33NO7S
MW 419.54
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.99

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32616179 10.1016/j.bmc.2020.115563 Sialidase-3 1
32616179 10.1016/j.bmc.2020.115563 Unchecked 1

Data from ChEMBL 36 via Core Engine