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Compound Detail

CHEMBL4744036

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O=C1C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744036
Phase Preclinical
Structure Type MOL
InChI Key CXLMFGHEUMONNG-ZMLRDBKSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.2
MW (Da)
-3.31
ALogP
7
HBA
5
HBD
128.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17NO7
MW 263.25
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.25

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