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

CHEMBL487417

VITEXIN
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=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487417
Name VITEXIN
Phase Preclinical
Structure Type MOL
InChI Key SGEWCQFRYRRZDC-VPRICQMDSA-N
5
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
0.09
ALogP
10
HBA
7
HBD
181.1
PSA (Ų)
0.30
QED
1
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 C21H20O10
MW 432.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.98

Activity Summary

IC50 10 meas. best 5.72
EC50 2 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.72 5.72 1900.0 1
Aldo-keto reductase family 1 member B1
CHEMBL2622
 IC50 5.69 5.69 2030.0 1
Neuraminidase
CHEMBL6135
 IC50 4.35 4.3267 45100.0 3
SUP-B15
CHEMBL4296498
 EC50 4.29 4.29 50690.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.07 4.07 84950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1900.0 nM 5.72 Inhibition of biotinylated 5-(4-((Z)-3-Carboxy-3-hydroxyacryloyl)-4-(4-chloroben... 32883638
Aldo-keto reductase family 1 member B1 IC50 = 2030.0 nM 5.69 Inhibition of Rattus norvegicus (rat) aldose reductase isolated from lens using ... -
Neuraminidase IC50 = 45100.0 nM 4.35 Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-A... 18640042
Neuraminidase IC50 = 46500.0 nM 4.33 Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA s... 18640042
Neuraminidase IC50 = 49600.0 nM 4.3 Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-AN... 18640042
SUP-B15 EC50 = 50690.0 nM 4.29 Antiproliferative activity against human SUP-B15 cells after 72 hrs by CelTiter-... 29407975
NON-PROTEIN TARGET IC50 = 84950.0 nM 4.07 Antioxidant activity assessed as superoxide free radical scavenging activity aft... 18986201

Literature References

PubMed DOI Target Context # Activities
23742617 10.1021/np400222v Mus musculus 36
34157392 10.1016/j.bmcl.2021.128211 HepG2 4
23357036 10.1016/j.bmc.2012.12.040 Rattus norvegicus 4
18640042 10.1016/j.bmc.2008.06.049 Neuraminidase 3
32883638 10.1016/j.ejmech.2020.112754 Unchecked 2
18986201 10.1021/np800564z Tyrosinase 2
18986201 10.1021/np800564z NON-PROTEIN TARGET 2
19944611 10.1016/j.bmc.2009.11.015 No relevant target 2
20116898 10.1016/j.ejmech.2010.01.005 Neuraminidase 2
34841869 10.1021/acs.jmedchem.1c01156 2-5A-dependent ribonuclease 2
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
29407975 10.1016/j.ejmech.2018.01.004 SEM 1
29407975 10.1016/j.ejmech.2018.01.004 KOPN-8 1
26529431 10.1021/acs.jnatprod.5b00616 Aldo-keto reductase family 1 member B10 1
- 10.1007/s00044-010-9412-4 Aldo-keto reductase family 1 member B1 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
3379415 10.1021/np50056a030 Xanthine dehydrogenase/oxidase 1
35276425 10.1016/j.ejmech.2022.114217 Human immunodeficiency virus type 1 reverse transcriptase 1
20605096 10.1016/j.bmcl.2010.06.077 3T3-L1 1
18986201 10.1021/np800564z Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine