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Compound Detail

CHEMBL479949

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COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL479949
Phase Preclinical
Structure Type MOL
InChI Key YWTCVXNBNPVPFK-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.45
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O6
MW 358.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.63

Activity Summary

IC50 4 meas.

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