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

CHEMBL4761516

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
CCCO[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 CHEMBL4761516
Phase Preclinical
Structure Type MOL
InChI Key JFHOKMCASPOYSN-FQXSYBDXSA-M
Parent Compound CHEMBL4803122
Active Moiety CHEMBL4803122
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)
0.33
QED
0
Ro5 Violations
8
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 1.23

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