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Compound Detail

CHEMBL3781309

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O=C(/C=C/c1ccc(O)cc1)c1cc(Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781309
Phase Preclinical
Structure Type MOL
InChI Key MYVPFQSMLKUERT-BYDSPXIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.5
MW (Da)
5.30
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H24O8
MW 524.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
26690274 10.1021/acs.jnatprod.5b00774 MCF7 1
26690274 10.1021/acs.jnatprod.5b00774 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine