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Compound Detail

CHEMBL1814438

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COc1cc(OC)c(/C=C2\Oc3cccc(O)c3C2=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814438
Phase Preclinical
Structure Type MOL
InChI Key FMSHJXCFSGFXRE-SXGWCWSVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.03
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1
30665143 10.1016/j.ejmech.2019.01.022 Staphylococcus aureus 1
30665143 10.1016/j.ejmech.2019.01.022 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine