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Compound Detail

CHEMBL611653

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COc1cc(C(=O)/C=C/c2cc(O)ccc2O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611653
Phase Preclinical
Structure Type MOL
InChI Key HKALQMVIWHLCLU-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
3.02
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O6
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
19875299 10.1016/j.bmc.2009.10.022 COLO 205 1
19875299 10.1016/j.bmc.2009.10.022 HepG2 1
19875299 10.1016/j.bmc.2009.10.022 Peritoneal macrophage cell 1
20705463 10.1016/j.bmcl.2010.07.094 Helicobacter pylori 1

Data from ChEMBL 36 via Core Engine