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Compound Detail

CHEMBL1528842

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COc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1528842
Phase Preclinical
Structure Type MOL
InChI Key FUQGIYDZGLORRC-XBXARRHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.00
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4
MW 270.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
28235703 10.1016/j.ejmech.2017.02.037 Bile acid receptor 3
27371109 10.1016/j.bmcl.2016.06.033 Streptococcus mutans 2

Data from ChEMBL 36 via Core Engine