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Compound Detail

CHEMBL3780469

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O=C(/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780469
Phase Preclinical
Structure Type MOL
InChI Key HHNXXWDNZKAGHV-XVNBXDOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.41
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.39
QED
0
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 C15H12O5
MW 272.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.91

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