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Compound Detail

CHEMBL4764169

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CCCCO[C@@]1(C(=O)[O-])C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764169
Phase Preclinical
Structure Type MOL
InChI Key VHROESOJXNDUPU-ZANLMATLSA-M
Parent Compound CHEMBL4803297
Active Moiety CHEMBL4803297
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
-1.24
ALogP
7
HBA
5
HBD
145.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24KNO8
MW 385.45
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.23

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