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Compound Detail

CHEMBL486626

SOPHORICOSIDE
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O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2cc(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486626
Name SOPHORICOSIDE
Phase Preclinical
Structure Type MOL
InChI Key ISQRJFLLIDGZEP-CMWLGVBASA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
0.05
ALogP
10
HBA
6
HBD
170.1
PSA (Ų)
0.33
QED
1
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 C21H20O10
MW 432.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.86

Activity Summary

IC50 10 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-5
CHEMBL1163111
 IC50 5.85 5.19 1400.0 8
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.99 4.99 10300.0 1
Interleukin-5 receptor subunit alpha
CHEMBL4523198
 IC50 4.97 4.97 10600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-5 IC50 = 1400.0 nM 5.85 Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay 20472438
Interleukin-5 IC50 = 1400.0 nM 5.85 Inhibition of interleukin-5 in mouse Y16 cells 20627591
NON-PROTEIN TARGET IC50 = 10300.0 nM 4.99 Antiinflammatory activity against mouse Y16 cells assessed as inhibition of IL5 ... 20226573
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition of interleukin-5 in mouse Y16 cells 20627591
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay 22954899
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay 23202848
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay 23523388
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition of mouse IL5-mediated mouse Y16 cell proliferation after 48 hrs by WS... 25865130
Interleukin-5 IC50 = 10600.0 nM 4.97 Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 ... 28803045
Interleukin-5 receptor subunit alpha IC50 = 10600.0 nM 4.97 Inhibition of IL-5 receptor in mouse pro-B Y16 cells assessed as decrease in mIL... 31400705

Literature References

PubMed DOI Target Context # Activities
20627591 10.1016/j.bmc.2010.05.028 Interleukin-5 4
18640042 10.1016/j.bmc.2008.06.049 Neuraminidase 3
22578462 10.1016/j.bmcl.2012.04.081 Unchecked 3
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2
20472438 10.1016/j.bmc.2010.04.075 Interleukin-5 2
22954899 10.1016/j.bmc.2012.08.006 Interleukin-5 2
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2
25865130 10.1016/j.bmc.2015.03.045 Interleukin-5 2
28803045 10.1016/j.ejmech.2017.07.069 Interleukin-5 2
31400705 10.1016/j.ejmech.2019.111574 Interleukin-5 receptor subunit alpha 2
3379415 10.1021/np50056a030 Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine