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Compound Detail

CHEMBL4749196

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C[C@@H]1O[C@@H](O[C@H]2CNC(=O)C2)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749196
Phase Preclinical
Structure Type MOL
InChI Key QAKICEMUJIEUFF-ZVMXLZMCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
-2.28
ALogP
6
HBA
4
HBD
108.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17NO6
MW 247.25
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33223464 10.1016/j.bmc.2020.115854 RAW264.7 1

Data from ChEMBL 36 via Core Engine