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Compound Detail

CHEMBL457945

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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)cc(O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457945
Phase Preclinical
Structure Type MOL
InChI Key ZXXFEBMBNPRRSI-JNHRPPPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
-0.64
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O10
MW 432.38
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.01

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
12932135 10.1021/np0301442 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine