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Compound Detail

CHEMBL231416

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COc1cc(OC)c2c(c1)oc(=O)c1c3cc(OC)c(OC)cc3oc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231416
Phase Preclinical
Structure Type MOL
InChI Key TVSXWGONJFTDHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
3.73
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O7
MW 356.33
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
17591441 10.1016/j.bmcl.2007.05.104 HUVEC 1

Data from ChEMBL 36 via Core Engine