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Compound Detail

CHEMBL5078918

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OC[C@H]1O[C@@H](Oc2cccc3c2-c2c(O)cc(O)cc2C[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5078918
Phase Preclinical
Structure Type MOL
InChI Key MCMLGCMLBJFWHN-JTADLJFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
-0.47
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O9
MW 406.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 2.17

Literature References

PubMed DOI Target Context # Activities
34931827 10.1021/acs.jmedchem.1c01605 Unchecked 2
34931827 10.1021/acs.jmedchem.1c01605 HepG2 1

Data from ChEMBL 36 via Core Engine