Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4746115

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
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.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746115
Phase Preclinical
Structure Type MOL
InChI Key PYOHBAGWTZNPKX-FQXSYBDXSA-M
Parent Compound CHEMBL4802561
Active Moiety CHEMBL4802561
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 C14H22KNO8
MW 371.43
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