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Compound Detail

CHEMBL3314710

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CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3cc(O)c4c(c3)C=CC(C)(C)O4)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314710
Phase Preclinical
Structure Type MOL
InChI Key LJVOUFXVBIKXNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
5.27
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H24O6
MW 420.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.52

Literature References

PubMed DOI Target Context # Activities
24963714 10.1021/np400831p RAW264.7 2

Data from ChEMBL 36 via Core Engine