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Compound Detail

CHEMBL1172104

(Z)-3,4,3',5'-TETRAMETHOXYSTILBENE
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COc1cc(/C=C\c2ccc(OC)c(OC)c2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172104
Name (Z)-3,4,3',5'-TETRAMETHOXYSTILBENE
Phase Preclinical
Structure Type MOL
InChI Key PTVAOGIYBMTHSN-WAYWQWQTSA-N
10
Targets
16
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H20O4
MW 300.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.09

Activity Summary

IC50 16 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16-F10
CHEMBL612656
 IC50 6.0 6.0 1000.0 1
HeLa
CHEMBL399
 IC50 5.44 4.7133 3600.0 3
BT-549
CHEMBL614072
 IC50 5.4 5.4 4000.0 1
HL-60
CHEMBL383
 IC50 5.37 5.37 4300.0 1
KB
CHEMBL398
 IC50 5.37 5.37 4300.0 1
SK-MEL
CHEMBL614914
 IC50 5.37 5.37 4300.0 1
LLC-PK1
CHEMBL614577
 IC50 5.22 5.22 6000.0 1
SW480
CHEMBL612544
 IC50 5.02 5.02 9500.0 1
Molecular identity unknown
CHEMBL612546
 IC50 4.4 4.28 40000.0 5
Myc proto-oncogene protein
CHEMBL1250348
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16-F10 IC50 = 1000.0 nM 6.0 Anti cancer activity against mouse B16-F10 cells assessed as cell growth inhibit... 32485531
HeLa IC50 = 3600.0 nM 5.44 Cytotoxicity against human HeLa cells assessed as growth inhibition measured aft... 23547843
BT-549 IC50 = 4000.0 nM 5.4 Cytotoxicity against human BT549 cells assessed as growth inhibition measured af... 23547843
SK-MEL IC50 = 4300.0 nM 5.37 Cytotoxicity against human SK-MEL cells assessed as growth inhibition measured a... 23547843
KB IC50 = 4300.0 nM 5.37 Cytotoxicity against human KB cells assessed as growth inhibition measured after... 23547843
HL-60 IC50 = 4300.0 nM 5.37 Cytotoxicity against human HL60 cells assessed as growth inhibition measured aft... 23547843
LLC-PK1 IC50 = 6000.0 nM 5.22 Cytotoxicity against pig LLC-PK1 cells assessed as growth inhibition measured af... 23547843
SW480 IC50 = 9500.0 nM 5.02 Antiproliferative activity against human SW480 cells assessed as cell viability ... 20395019
Molecular identity unknown IC50 = 40000.0 nM 4.4 Inhibition of Wnt signaling pathway in human HeLa cells assessed as inhibition o... 23547843
Molecular identity unknown IC50 = 40000.0 nM 4.4 Inhibition of Notch signaling pathway in human HeLa cells assessed as inhibition... 23547843
Molecular identity unknown IC50 = 40000.0 nM 4.4 Inhibition of Ets signaling pathway in human HeLa cells assessed as inhibition o... 23547843
HeLa IC50 = 40000.0 nM 4.4 Inhibition of smad3/4 signaling pathway in human HeLa cells assessed as inhibiti... 23547843
HeLa IC50 = 50000.0 nM 4.3 Inhibition of Stat3 signaling pathway in human HeLa cells assessed as inhibition... 23547843
Myc proto-oncogene protein IC50 = 60000.0 nM 4.22 Inhibition of Myc signaling pathway in human HeLa cells assessed as inhibition o... 23547843
Molecular identity unknown IC50 = 80000.0 nM 4.1 Inhibition of NFkappaB signaling pathway in human HeLa cells assessed as inhibit... 23547843
Molecular identity unknown IC50 = 80000.0 nM 4.1 Inhibition of AP1 signaling pathway in human HeLa cells assessed as inhibition o... 23547843

Literature References

PubMed DOI Target Context # Activities
23547843 10.1021/np300893n Molecular identity unknown 12
23547843 10.1021/np300893n HeLa 5
20395019 10.1016/j.ejmech.2010.03.024 SW480 4
23547843 10.1021/np300893n HL-60 2
23547843 10.1021/np300893n Myc proto-oncogene protein 2
32485531 10.1016/j.ejmech.2020.112356 B16-F10 2
23547843 10.1021/np300893n Nitric oxide synthase, inducible 1
23547843 10.1021/np300893n Forkhead box protein O1 1
23547843 10.1021/np300893n SK-OV-3 1
23547843 10.1021/np300893n Vero 1
23547843 10.1021/np300893n LLC-PK1 1
23547843 10.1021/np300893n SK-MEL 1
23547843 10.1021/np300893n BT-549 1
23547843 10.1021/np300893n KB 1

Data from ChEMBL 36 via Core Engine