Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL600792

LIQUIRITIN APIOSIDE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1C[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3OC[C@@](O)(CO)[C@@H]3O)cc2)Oc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600792
Name LIQUIRITIN APIOSIDE
Phase Preclinical
Structure Type MOL
InChI Key FTVKHUHJWDMWIR-FRFGAYJHSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

550.5
MW (Da)
-1.26
ALogP
13
HBA
7
HBD
204.8
PSA (Ų)
0.22
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H30O13
MW 550.51
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 2.25

Activity Summary

IC50 1 meas. best 4.74
Ki 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.74 4.74 18200.0 1
Unchecked
CHEMBL612545
 Ki 4.69 4.69 20400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 18200.0 nM 4.74 Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase 20064716
Unchecked Ki = 20400.0 nM 4.69 Inhibition of Spanish flu (A/Bervig_Mission/1/18) neuraminidase by noncompetitiv... 20064716

Literature References

PubMed DOI Target Context # Activities
20064716 10.1016/j.bmcl.2009.12.106 Unchecked 2

Data from ChEMBL 36 via Core Engine