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Compound Detail

CHEMBL596268

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COCOc1cc(O)c(C(=O)/C=C/c2ccc(OCOC)c(OCOC)c2)c(OCOC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596268
Phase Preclinical
Structure Type MOL
InChI Key QFHIMBFWWKHSJP-FNORWQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
3.22
ALogP
10
HBA
1
HBD
111.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H28O10
MW 464.47
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
19853459 10.1016/j.bmc.2009.10.002 Radical scavenging activity 4
19853459 10.1016/j.bmc.2009.10.002 NON-PROTEIN TARGET 3
19853459 10.1016/j.bmc.2009.10.002 Unchecked 1
19853459 10.1016/j.bmc.2009.10.002 No relevant target 1

Data from ChEMBL 36 via Core Engine