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Compound Detail

CHEMBL4874262

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CC(=O)Oc1ccc2c(=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)coc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874262
Phase Preclinical
Structure Type MOL
InChI Key VGXPXRXHDYZKIU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.24
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O8
MW 396.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33646787 10.1021/acs.jnatprod.0c01387 Unchecked 1

Data from ChEMBL 36 via Core Engine