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Compound Detail

CHEMBL596030

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COc1c2c(cc3ccc(=O)oc13)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596030
Phase Preclinical
Structure Type MOL
InChI Key GDJFGAQXNUYMPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
1.53
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H8O5
MW 220.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.30

Literature References

PubMed DOI Target Context # Activities
19716307 10.1016/j.bmc.2009.08.002 U-937 2

Data from ChEMBL 36 via Core Engine