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Compound Detail

CHEMBL593327

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COc1cc(O)c2c(=O)oc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593327
Phase Preclinical
Structure Type MOL
InChI Key LRBJGXHSHSOQHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
5.82
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22O6
MW 454.48
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
19767211 10.1016/j.bmc.2009.08.051 Unchecked 1
19767211 10.1016/j.bmc.2009.08.051 DNA polymerase beta 1

Data from ChEMBL 36 via Core Engine