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Compound Detail

CHEMBL5194278

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COc1ccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194278
Phase Preclinical
Structure Type MOL
InChI Key QXGISKPRHNUTQA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
3.21
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O7
MW 356.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
35262352 10.1021/acs.jnatprod.1c00765 Unchecked 1

Data from ChEMBL 36 via Core Engine