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Compound Detail

CHEMBL25894

ZINGERONE
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COc1cc(CCC(C)=O)ccc1O

Basic Information

ChEMBL ID CHEMBL25894
Name ZINGERONE
Phase Preclinical
Structure Type MOL
InChI Key OJYLAHXKWMRDGS-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
1.92
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
QED
0
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 C11H14O3
MW 194.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.77

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
28110870 10.1016/j.bmcl.2016.12.042 SNU-182 16
19615910 10.1016/j.bmc.2009.06.057 NON-PROTEIN TARGET 6
19615910 10.1016/j.bmc.2009.06.057 Tyrosinase 6
19615910 10.1016/j.bmc.2009.06.057 Unchecked 5
20226658 10.1016/j.bmcl.2010.02.059 Androgen receptor 4
28110870 10.1016/j.bmcl.2016.12.042 Unchecked 2
14980683 10.1016/j.bmcl.2003.12.041 PC-12 1
14980683 10.1016/j.bmcl.2003.12.041 IMR-32 1
19615910 10.1016/j.bmc.2009.06.057 B16 1
23062825 10.1016/j.bmc.2012.09.040 Acetylcholinesterase 1
23062825 10.1016/j.bmc.2012.09.040 Cholinesterase 1
28110870 10.1016/j.bmcl.2016.12.042 NF-kappa-B inhibitor alpha 1
28110870 10.1016/j.bmcl.2016.12.042 Mitogen-activated protein kinase; ERK1/ERK2 1
28110870 10.1016/j.bmcl.2016.12.042 Mothers against decapentaplegic homolog 2 1
28110870 10.1016/j.bmcl.2016.12.042 Transcription factor Jun 1

Data from ChEMBL 36 via Core Engine