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Compound Detail

CHEMBL5076060

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COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1-c1c(O)cccc1[C@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5076060
Phase Preclinical
Structure Type MOL
InChI Key LNGRTDFDFZLFCC-UXZCKQNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
-0.16
ALogP
9
HBA
6
HBD
149.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O9
MW 420.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.05

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