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Compound Detail

CHEMBL4750824

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CC(=O)N[C@@H]1C=C[C@](OC(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750824
Phase Preclinical
Structure Type MOL
InChI Key NQCKPHTYTDMBIF-CBLPJQPBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
-1.63
ALogP
7
HBA
5
HBD
145.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23NO8
MW 333.34
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.15

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