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Compound Detail

CHEMBL4435223

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COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2CO)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435223
Phase Preclinical
Structure Type MOL
InChI Key AZTAGXIJLPKJOR-SRXMEYSWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
2.30
ALogP
8
HBA
3
HBD
106.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O8
MW 404.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30485098 10.1021/acs.jnatprod.8b00416 Huh7.5.1 1
30485098 10.1021/acs.jnatprod.8b00416 Hepatitis C virus 1
30485098 10.1021/acs.jnatprod.8b00416 Unchecked 1

Data from ChEMBL 36 via Core Engine