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Compound Detail

CHEMBL5407758

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Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407758
Phase Preclinical
Structure Type MOL
InChI Key NJSQOZWJSCVTCV-ONMHTNRHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

594.5
MW (Da)
-3.17
ALogP
15
HBA
9
HBD
253.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30O15
MW 594.52
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 1.47

Literature References

PubMed DOI Target Context # Activities
37708055 10.1021/acs.jnatprod.2c01157 Candida albicans 2
37708055 10.1021/acs.jnatprod.2c01157 Escherichia coli 2
37708055 10.1021/acs.jnatprod.2c01157 A549 2
37708055 10.1021/acs.jnatprod.2c01157 Staphylococcus aureus 2
37708055 10.1021/acs.jnatprod.2c01157 AGS 2
37708055 10.1021/acs.jnatprod.2c01157 T-24 2

Data from ChEMBL 36 via Core Engine