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Compound Detail

CHEMBL446818

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COc1cccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446818
Phase Preclinical
Structure Type MOL
InChI Key YKCIDBZNKNPMQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.44
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O5
MW 328.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
18586491 10.1016/j.bmcl.2008.06.039 NON-PROTEIN TARGET 1
18586491 10.1016/j.bmcl.2008.06.039 WRL68 1
18586491 10.1016/j.bmcl.2008.06.039 Caco-2 1
18586491 10.1016/j.bmcl.2008.06.039 HepG2 1
18586491 10.1016/j.bmcl.2008.06.039 MCF7 1

Data from ChEMBL 36 via Core Engine