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Compound Detail

CHEMBL261295

TETRAMETHOXYCURCUMIN
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COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261295
Name TETRAMETHOXYCURCUMIN
Phase Preclinical
Structure Type MOL
InChI Key HMJSBVCDPKODEX-NXZHAISVSA-N
7
Targets
11
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.98
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H24O6
MW 396.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.41

Activity Summary

EC50 7 meas. best 6.35
IC50 4 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 6.35 6.2233 450.0 3
SK-BR-3
CHEMBL613834
 IC50 6.02 6.02 955.0 1
MCF7
CHEMBL387
 IC50 5.97 5.97 1070.0 1
Leishmania major
CHEMBL612879
 EC50 5.55 5.55 2800.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.11 5.095 7860.0 2
Leishmania mexicana
CHEMBL612880
 EC50 5.0 5.0 10000.0 1
Nuclear factor erythroid 2-related factor 2
CHEMBL1075094
 EC50 4.78 4.78 16600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 450.0 nM 6.35 Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... 20004045
Trypanosoma brucei brucei EC50 = 620.0 nM 6.21 Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... 20004045
Trypanosoma brucei brucei EC50 = 770.0 nM 6.11 Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... 20004045
SK-BR-3 IC50 = 955.0 nM 6.02 Antiproliferative activity against human SKBR3 cells after 72 hrs by MTS-PMS ass... 19019687
MCF7 IC50 = 1070.0 nM 5.97 Antiproliferative activity against human MCF7 cells after 72 hrs by MTS-PMS assa... 19019687
Leishmania major EC50 = 2800.0 nM 5.55 Antileishmanial activity against Leishmania major Friedlin promastigotes after 4... 20004045
Plasmodium falciparum IC50 = 7860.0 nM 5.11 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum FCK2 18194869
Plasmodium falciparum IC50 = 8400.0 nM 5.08 Antimalarial activity against chloroquine-resistant Plasmodium falciparum MP14 18194869
Leishmania mexicana EC50 = 10000.0 nM 5.0 Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes... 20004045
Nuclear factor erythroid 2-related factor 2 EC50 = 16600.0 nM 4.78 Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs b... 29223100

Literature References

PubMed DOI Target Context # Activities
18194869 10.1016/j.bmc.2007.12.054 Plasmodium falciparum 4
20004045 10.1016/j.ejmech.2009.11.035 Trypanosoma brucei brucei 3
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2
29223100 10.1016/j.ejmech.2017.11.048 Nuclear factor erythroid 2-related factor 2 2
19019687 10.1016/j.bmc.2008.10.057 SK-BR-3 1
19019687 10.1016/j.bmc.2008.10.057 MCF7 1
20004045 10.1016/j.ejmech.2009.11.035 Leishmania major 1
20004045 10.1016/j.ejmech.2009.11.035 Leishmania mexicana 1
20004045 10.1016/j.ejmech.2009.11.035 HEK293 1
20004045 10.1016/j.ejmech.2009.11.035 Unchecked 1
20691508 10.1016/j.ejmech.2010.07.003 Mycobacterium tuberculosis 1
29223100 10.1016/j.ejmech.2017.11.048 Luciferin 4-monooxygenase 1
36608774 10.1016/j.bmcl.2023.129123 Trypanosoma brucei 1
36608774 10.1016/j.bmcl.2023.129123 HEK293 1

Data from ChEMBL 36 via Core Engine