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Compound Detail

CHEMBL254526

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COc1ccc([C@H]2COc3cc(O)ccc3C2=O)c(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254526
Phase Preclinical
Structure Type MOL
InChI Key ILOKNKKFXJKHMB-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
2.47
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H16O6
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.63

Literature References

PubMed DOI Target Context # Activities
19928832 10.1021/np900676y T47D 4
19928832 10.1021/np900676y MCF7 4
18440233 10.1016/j.bmc.2008.04.016 NON-PROTEIN TARGET 3
17950610 10.1016/j.bmc.2007.10.004 PANC-1 1
18440233 10.1016/j.bmc.2008.04.016 A549 1
18440233 10.1016/j.bmc.2008.04.016 HeLa 1
18440233 10.1016/j.bmc.2008.04.016 HT-1080 1

Data from ChEMBL 36 via Core Engine