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Compound Detail

CHEMBL1223641

GLISOFLAVONE
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COc1cc(O)cc2occ(-c3cc(O)c(O)c(CC=C(C)C)c3)c(=O)c12

Basic Information

ChEMBL ID CHEMBL1223641
Name GLISOFLAVONE
Phase Preclinical
Structure Type MOL
InChI Key PYVPKOSKOWDDSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.47
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 C21H20O6
MW 368.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.97

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
IC50 4.55 4.55 27900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20724155 10.1016/j.bmcl.2010.07.110 Tyrosine-protein phosphatase non-receptor type 1 2
24047800 10.1016/j.bmcl.2013.08.102 Dual specificity protein phosphatase 3 1
24047800 10.1016/j.bmcl.2013.08.102 Tyrosine-protein phosphatase non-receptor type 2 1

Data from ChEMBL 36 via Core Engine