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Compound Detail

CHEMBL1096898

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Oc1cc(O)c2c(c1)oc1cc(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096898
Phase Preclinical
Structure Type MOL
InChI Key BGECNEMQUVPXCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
2.41
ALogP
5
HBA
4
HBD
94.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8O5
MW 232.19
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
29031065 10.1016/j.ejmech.2017.09.062 Saccharomyces cerevisiae 4
20116906 10.1016/j.ejmech.2009.12.055 Fructose-1,6-bisphosphatase 1 2
29031065 10.1016/j.ejmech.2017.09.062 Staphylococcus aureus 2
29031065 10.1016/j.ejmech.2017.09.062 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine