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Compound Detail

CHEMBL593006

(Z)-2'-METHOXYAURONE
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COc1ccccc1/C=C1\Oc2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL593006
Name (Z)-2'-METHOXYAURONE
Phase Preclinical
Structure Type MOL
InChI Key PAXAAXXKMIUQEF-GDNBJRDFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.31
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O3
MW 252.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.50

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19853459 10.1016/j.bmc.2009.10.002 Radical scavenging activity 4
19853459 10.1016/j.bmc.2009.10.002 NON-PROTEIN TARGET 3
17263463 10.1021/jf062562t Spodoptera litura 2
19853459 10.1016/j.bmc.2009.10.002 Unchecked 1
19853459 10.1016/j.bmc.2009.10.002 No relevant target 1
25455492 10.1016/j.bmcl.2014.10.019 Histone deacetylase 1
25455492 10.1016/j.bmcl.2014.10.019 MCF7 1
25455492 10.1016/j.bmcl.2014.10.019 HepG2 1
25455492 10.1016/j.bmcl.2014.10.019 NAD-dependent protein deacetylase sirtuin-2 1
25455492 10.1016/j.bmcl.2014.10.019 Retinoic acid receptor beta 1
31744778 10.1016/j.bmc.2019.115191 MDCK 1
31744778 10.1016/j.bmc.2019.115191 Influenza A virus 1
31744778 10.1016/j.bmc.2019.115191 Neuraminidase 1

Data from ChEMBL 36 via Core Engine