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Compound Detail

CHEMBL3754623

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COC(=O)c1cc(O)cc(OC)c1Oc1cc(CO)cc(O)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754623
Phase Preclinical
Structure Type MOL
InChI Key LCKLPKVOZZBTLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
1.88
ALogP
8
HBA
4
HBD
142.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H16O9
MW 364.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.21

Literature References

PubMed DOI Target Context # Activities
26706176 10.1016/j.bmcl.2015.12.009 Unchecked 1

Data from ChEMBL 36 via Core Engine