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Compound Detail

CHEMBL3263566

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O=C1/C(=C/c2ccco2)Oc2cc(O)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263566
Phase Preclinical
Structure Type MOL
InChI Key KANVAAWCTZUPII-WDZFZDKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
2.31
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8O5
MW 244.20
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2

Data from ChEMBL 36 via Core Engine