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Compound Detail

CHEMBL489142

SYRINGETIN
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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL489142
Name SYRINGETIN
Phase Preclinical
Structure Type MOL
InChI Key UZMAPBJVXOGOFT-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
2.30
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O8
MW 346.29
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 1.46

Activity Summary

EC50 1 meas. best 4.81
IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monocyte
CHEMBL614076
IC50 5.68 5.68 2100.0 1
Hepatitis C virus
CHEMBL379
EC50 4.81 4.81 15500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19807106 10.1021/jm900964r Peroxisome proliferator-activated receptor gamma 2
1800636 10.1021/np50077a018 Unchecked 1
1479375 10.1021/np50089a001 Tyrosine-protein kinase Lck 1
8882428 10.1021/np960057s Monocyte 1
22445328 10.1016/j.ejmech.2012.03.002 Hepatitis C virus 1
22445328 10.1016/j.ejmech.2012.03.002 ADMET 1
28049590 10.1016/j.bmcl.2016.12.051 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial 1

Data from ChEMBL 36 via Core Engine