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Compound Detail

CHEMBL4792054

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CO[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 CHEMBL4792054
Phase Preclinical
Structure Type MOL
InChI Key LXROGNGPTMWXSQ-CVNTZHHSSA-M
Parent Compound CHEMBL4803807
Active Moiety CHEMBL4803807
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
-2.41
ALogP
7
HBA
5
HBD
145.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18KNO8
MW 343.37
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.45

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