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Compound Detail

CHEMBL332122

PIPERIC ACID
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O=C(O)/C=C/C=C/c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332122
Name PIPERIC ACID
Phase Preclinical
Structure Type MOL
InChI Key RHBGITBPARBDPH-ZPUQHVIOSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.07
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.62
QED
0
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 C12H10O4
MW 218.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.92

Activity Summary

IC50 5 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2993
 IC50 4.87 4.87 13590.0 1
Amine oxidase [flavin-containing] A
CHEMBL3358
 IC50 4.74 4.74 18340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B IC50 = 13590.0 nM 4.87 Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as s... 22475561
Amine oxidase [flavin-containing] A IC50 = 18340.0 nM 4.74 Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as s... 22475561

Literature References

PubMed DOI Target Context # Activities
21346005 10.1124/dmd.110.037614 Hamster 6
19523722 10.1016/j.ejmech.2009.05.004 Quinolone resistance protein NorA 3
18201805 10.1016/j.ejmech.2007.11.027 Klebsiella aerogenes 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
27503686 10.1016/j.bmcl.2016.07.062 Quinolone resistance protein NorA 2
20546981 10.1016/j.ejmech.2010.04.033 PBMC 2
20546981 10.1016/j.ejmech.2010.04.033 Leishmania donovani 2
15177472 10.1016/j.bmcl.2004.04.019 Trypanosoma cruzi 2
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma cruzi 1
21745740 10.1016/j.bmcl.2011.06.046 HCT-116 1
21745740 10.1016/j.bmcl.2011.06.046 Histone deacetylase 1 1
21745740 10.1016/j.bmcl.2011.06.046 Histone deacetylase 3 1
21745740 10.1016/j.bmcl.2011.06.046 Histone deacetylase 6 1
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] A 1
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] B 1
22475561 10.1016/j.bmcl.2012.02.090 Unchecked 1
- 10.1007/s00044-008-9161-9 Trypanosoma cruzi 1
18201805 10.1016/j.ejmech.2007.11.027 Escherichia coli 1
31711793 10.1016/j.ejmech.2019.111770 Amine oxidase [flavin-containing] B 1
31711793 10.1016/j.ejmech.2019.111770 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine