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Compound Detail

CHEMBL4546977

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C[C@H]1[C@@H]2c3cc4c(cc3O[C@]35OCOC3=CC(=O)[C@@H](C[C@@H]1C)[C@@H]25)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4546977
Phase Preclinical
Structure Type MOL
InChI Key GMTJIWUFFXGFHH-WZCVWVSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.97
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O6
MW 356.37
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.40

Literature References

PubMed DOI Target Context # Activities
31642320 10.1021/acs.jnatprod.9b00520 RAW264.7 2

Data from ChEMBL 36 via Core Engine