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name Structure Reference Source Properties Activities Metabolism

1-Piperoylpiperidine; (2Z,4Z)-form 

AlkaPlorer ID: AK310587

Synonym: Chavicine

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Structure

SMILES: O=C(/C=C/C=C/C1=CC=C2OCOC2=C1)N1CCCCC1

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InChI: InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

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InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

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Reference

Pharmacological study on piperine

PubChem CID: 638024

CAS: 495-91-0

LOTUS: LTS0014461

SuperNatural Ⅲ: SN0238354-05

NPASS: NPC136330

{

NPAtlas: NPA015865

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Periconia sp. Periconia Periconiaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 285.343

TPSA？: 38.77

MolLogP？: 2.997200000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aedes aegypti Aedes aegypti LD50 8.13 ug 10.3390/toxins2081943
Bacillus subtilis Bacillus subtilis MIC 500.0 ug.mL-1 10.1007/s00044-013-0541-4
Blumeria graminis Blumeria graminis Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Bos taurus Serum albumin Activity 50.0 % 10.1016/j.bmcl.2012.09.056
Botrytis cinerea Botrytis cinerea Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Candida albicans Candida albicans IZ 23.0 mm 10.1016/j.ejmech.2019.04.002
Candida albicans Candida albicans MIC 3125.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Cricetinae Hamster Activity 3.89 % 10.1021/acs.jnatprod.1c00565
Danio rerio Danio rerio Activity nan None 10.1021/acs.jnatprod.7b00081
Danio rerio Danio rerio MTD 12.0 uM 10.1021/acs.jnatprod.7b00081
Electrophorus electricus Acetylcholinesterase Inhibition -0.1 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 16.77 % 10.1016/j.bmc.2012.09.040
Escherichia coli Escherichia coli IZ 20.0 mm 10.1016/j.ejmech.2019.04.002
Escherichia coli Escherichia coli MIC 300.0 ug.mL-1 10.1007/s00044-013-0541-4
Escherichia coli Escherichia coli MIC 6250.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Escherichia coli K-12 Beta-lactamase AmpC Potency 44668.4 nM None
Hepatitis B virus Hepatitis B virus IC50 140000.0 nM 10.1016/j.bmcl.2013.01.118
Hepatitis B virus Hepatitis B virus IC50 150000.0 nM 10.1016/j.bmcl.2013.01.118
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 15848.9 nM None
Homo sapiens A549 IC50 11890.0 nM 10.1039/C6MD00606J
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Arachidonate 5-lipoxygenase IC50 54000.0 nM 10.1016/j.bmc.2019.06.040
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 47.45 % 10.1016/j.bmc.2018.12.043
Homo sapiens Aryl hydrocarbon receptor Potency 14125.4 nM None
Homo sapiens Ataxin-2 Potency 19952.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 10318.3 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 11577.4 nM None
Homo sapiens Bel-7402 IC50 10000.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens Bel7402/5-FU IC50 nan None 10.1021/acs.jnatprod.0c00599
Homo sapiens Bile acid receptor FXR Potency 44668.4 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 8912.5 nM None
Homo sapiens Cathepsin D IC50 42300.0 nM 10.1007/s00044-012-0397-z
Homo sapiens COLO 205 IC50 46000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens Cytochrome P450 1A1 Inhibition 42.0 % 10.1039/C7MD00388A
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens Dihydroorotate dehydrogenase IC50 880.0 nM 10.1016/j.ejmech.2022.114176
Homo sapiens Dihydroorotate dehydrogenase Ki 710.0 nM 10.1016/j.ejmech.2022.114176
Homo sapiens DLD-1 IC50 200000.0 nM 10.1016/j.ejmech.2020.113149
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens DU-145 IC50 50000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 5800.0 nM 10.1021/acs.jnatprod.1c00840
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 52400.0 nM 10.1021/jm5002277
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 Imax 302.0 % 10.1021/jm5002277
Homo sapiens Glucocorticoid receptor Potency 44668.4 nM None
Homo sapiens HCT-116 IC50 200000.0 nM 10.1016/j.ejmech.2020.113149
Homo sapiens HCT-116 IC50 nan None 10.1021/acs.jnatprod.0c00599
Homo sapiens HeLa IC50 950.0 nM 10.1007/s00044-013-0541-4
Homo sapiens HeLa IC50 19210.0 nM 10.1039/C6MD00606J
Homo sapiens HEp-2 IC50 70000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens HepG2 Activity 36.0 % 10.1021/acs.jnatprod.0c01018
Homo sapiens HepG2 Activity nan None 10.1021/acs.jnatprod.0c01018
Homo sapiens HepG2 IC50 10000.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens HGC-27 IC50 nan None 10.1021/acs.jnatprod.0c00599
Homo sapiens Histone deacetylase 6 IC50 1044.0 nM 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 61.24 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 101.02 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 115.26 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens AUC 3370.0 ng.hr.mL-1 10.1007/bf03226378
Homo sapiens Homo sapiens AUC 5300.0 ng.hr.mL-1 10.1007/bf03226378
Homo sapiens Homo sapiens Cmax 1401.84 nM 10.1007/bf03226378
Homo sapiens Homo sapiens ka 1.41 /hr 10.1007/bf03226378
Homo sapiens Homo sapiens Kel 0.08 /hr 10.1007/bf03226378
Homo sapiens Homo sapiens Tmax 2.5 hr 10.1007/bf03226378
Homo sapiens HUVEC Activity 98.0 % 10.1039/C2MD20216F
Homo sapiens HUVEC IC50 100000.0 nM 10.1039/C2MD20216F
Homo sapiens HUVEC MTD 250.0 uM 10.1039/C2MD20216F
Homo sapiens IMR-32 IC50 10190.0 nM 10.1039/C6MD00606J
Homo sapiens IMR-32 IC50 89000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens Lysine-specific demethylase 4D-like Potency 31622.8 nM None
Homo sapiens MAP kinase ERK2 Potency 39810.7 nM None
Homo sapiens MCF7 IC50 990.0 nM 10.1007/s00044-013-0541-4
Homo sapiens MCF7 IC50 12960.0 nM 10.1039/C6MD00606J
Homo sapiens MCF7 IC50 99000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens MDA-MB-231 IC50 58.45 ug.mL-1 10.1007/s00044-012-0397-z
Homo sapiens Monoamine oxidase A IC50 58980.0 nM 10.1016/j.bmcl.2012.09.056
Homo sapiens Monoamine oxidase A Inhibition 50.0 % 10.1016/j.ejmech.2019.111770
Homo sapiens Monoamine oxidase B IC50 483.0 nM 10.1016/j.bmcl.2012.09.056
Homo sapiens Monoamine oxidase B IC50 1050.0 nM 10.1016/j.ejmech.2019.111770
Homo sapiens Niemann-Pick C1 protein Potency 2511.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 2433.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 20596.2 nM None
Homo sapiens PBMC Activity 7.0 % 10.1016/j.ejmech.2010.04.033
Homo sapiens PBMC Activity 10.0 % 10.1016/j.ejmech.2010.04.033
Homo sapiens PC-3 IC50 50000.0 nM 10.1007/s00044-010-9500-5
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 39810.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 50118.7 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.ejmech.2019.111770
Homo sapiens P-glycoprotein 1 IC50 15500.0 nM 10.1124/jpet.102.034728
Homo sapiens P-glycoprotein 1 IC50 74100.0 nM 10.1124/jpet.102.034728
Homo sapiens P-glycoprotein 1 IC50 nan None 10.1039/C4MD00196F
Homo sapiens P-glycoprotein 1 Inhibition nan % 10.1016/j.ejmech.2019.111770
Homo sapiens Ras-related protein Rab-9A Potency 2511.9 nM None
Homo sapiens Retinoid X receptor alpha Potency 35481.3 nM None
Homo sapiens SH-SY5Y Activity nan None 10.1016/j.ejmech.2019.111770
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 186.17 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 97.82 % 10.1124/mol.112.084152
Homo sapiens Sphingomyelin phosphodiesterase Potency 31622.8 nM None
Homo sapiens Survival motor neuron protein Potency 14125.4 nM None
Homo sapiens SW480 IC50 200000.0 nM 10.1016/j.ejmech.2020.113149
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Vanilloid receptor Activity 10.0 uM 10.1038/nchembio0705-85
Homo sapiens Vanilloid receptor Activity nan None 10.1016/j.bmc.2010.03.013
Homo sapiens Vanilloid receptor EC50 3162.28 nM 10.1016/j.bmc.2010.03.013
Homo sapiens Vanilloid receptor Emax 91.0 % 10.1016/j.bmc.2010.03.013
Klebsiella pneumoniae Klebsiella pneumoniae IZ 15.0 mm 10.1016/j.ejmech.2019.04.002
Klebsiella pneumoniae Klebsiella pneumoniae MIC 200.0 ug.mL-1 10.1007/s00044-013-0541-4
Klebsiella pneumoniae Klebsiella pneumoniae MIC 25000.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Leishmania amazonensis Leishmania amazonensis IC50 14500.0 nM 10.1016/j.bmcl.2015.05.068
Leishmania donovani Leishmania donovani IC50 752000.0 nM 10.1016/j.ejmech.2010.04.033
Leishmania donovani Leishmania donovani IC50 2558000.0 nM 10.1016/j.ejmech.2010.04.033
Mus musculus 3T3-L1 Activity -14.2 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity -3.9 % 10.1016/j.bmcl.2008.04.052
Mus musculus 3T3-L1 Activity -1.2 % 10.1016/j.bmcl.2008.04.052
Mus musculus Hepatocyte Activity 29.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Activity 36.5 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Activity 40.6 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Activity 72.4 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Activity 76.1 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Activity 84.3 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte IC50 12000.0 nM 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition -9.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 2.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 6.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 9.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 23.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 23.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 46.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 46.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus Hepatocyte Inhibition 68.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Hepatocyte Inhibition 68.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus L929 Activity 64.0 % 10.1016/j.bmcl.2008.01.101
Mus musculus L929 Activity 66.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus L929 Activity 92.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus L929 IC50 42000.0 nM 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 5.3 % 10.1016/j.bmc.2010.01.047
Mus musculus L929 Inhibition 5.5 % 10.1016/j.bmc.2010.01.047
Mus musculus L929 Inhibition 10.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 10.6 % 10.1016/j.bmc.2010.01.047
Mus musculus L929 Inhibition 17.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 22.0 % 10.1016/j.bmc.2009.08.050
Mus musculus L929 Inhibition 41.8 % 10.1016/j.bmc.2010.01.047
Mus musculus L929 Inhibition 82.0 % 10.1016/j.bmc.2009.08.050
Mus musculus Monoamine oxidase A Ki 19000.0 nM 10.1016/j.bmcl.2009.11.106
Mus musculus Monoamine oxidase B Ki 3190.0 nM 10.1016/j.bmcl.2009.11.106
Mus musculus Mus musculus Activity 27.5 % 10.1021/acs.jnatprod.0c01018
Mus musculus Mus musculus Activity 34.4 % 10.1021/acs.jnatprod.0c01018
Mus musculus Mus musculus Activity 43.6 % 10.1021/acs.jnatprod.0c01018
Mus musculus Mus musculus Activity nan None 10.1021/acs.jnatprod.0c01018
Mus musculus Mus musculus Inhibition -2.2 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition -2.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 0.3 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 0.3 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 9.2 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 9.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 15.7 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 15.7 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 23.2 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 23.2 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 50.7 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 50.7 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 51.1 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 51.1 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 94.3 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 94.3 % 10.1016/j.bmcl.2008.01.101
Mus musculus Mus musculus Inhibition 96.1 % 10.1016/j.bmc.2009.08.050
Mus musculus Mus musculus Inhibition 96.1 % 10.1016/j.bmcl.2008.01.101
Mus musculus Nuclear receptor ROR-gamma Potency 5623.4 nM None
Mus musculus RAW264.7 Inhibition 49.67 % 10.1016/j.ejmech.2015.01.001
Mus musculus Serum Cmax 19170.11 nM 10.1007/bf03226378
Mus musculus Serum Tmax 6.0 hr 10.1007/bf03226378
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 2.62 ug.mL-1 10.1021/acs.jnatprod.0c01195
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 1.74 ug.mL-1 10.1021/acs.jnatprod.0c01195
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 128.0 ug.mL-1 10.1016/j.ejmech.2017.06.005
Photinus pyralis Luciferin 4-monooxygenase Potency 8492.1 nM None
Phytophthora infestans Phytophthora infestans Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Plasmodium falciparum Plasmodium falciparum Potency 4653.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 7375.3 nM None
Proteus vulgaris Proteus vulgaris IZ 17.0 mm 10.1016/j.ejmech.2019.04.002
Proteus vulgaris Proteus vulgaris MIC 12500.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 8.0 mm 10.1016/j.ejmech.2019.04.002
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 100.0 ug.mL-1 10.1007/s00044-013-0541-4
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 100000.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Puccinia recondita Puccinia recondita Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Pyricularia grisea Pyricularia grisea Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Rattus norvegicus Monoamine oxidase A IC50 404.0 nM 10.1016/j.bmcl.2012.02.090
Rattus norvegicus Monoamine oxidase A Ki 49300.0 nM 10.1016/j.bmcl.2009.11.106
Rattus norvegicus Monoamine oxidase B IC50 260.0 nM 10.1016/j.bmcl.2012.02.090
Rattus norvegicus Monoamine oxidase B Ki 91300.0 nM 10.1016/j.bmcl.2009.11.106
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 7079.5 nM None
Rattus norvegicus PC-12 Activity 55.72 % 10.1016/j.ejmech.2020.112385
Rattus norvegicus PC-12 Activity nan None 10.1021/np300911b
Rattus norvegicus Rattus norvegicus Activity 0.67 ml 10.1016/j.ejmech.2015.01.001
Rattus norvegicus Rattus norvegicus Activity 0.676 ml 10.1016/j.ejmech.2015.01.001
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2015.01.001
Rattus norvegicus Rattus norvegicus Inhibition 53.69 % 10.1016/j.ejmech.2015.01.001
Rattus norvegicus Rattus norvegicus Inhibition 54.72 % 10.1016/j.ejmech.2015.01.001
Rhizoctonia solani Rhizoctonia solani Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi MIC 200.0 ug.mL-1 10.1007/s00044-013-0541-4
Schistosoma mansoni Thioredoxin glutathione reductase Potency 39810.7 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 16.44 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 22.14 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -5.85 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.22 % 10.6019/CHEMBL4495565
Shigella dysenteriae Shigella dysenteriae MIC 600.0 ug.mL-1 10.1007/s00044-013-0541-4
Staphylococcus aureus Fluoroquinolone resistance protein FC 0.0 None 10.1039/C4MD00196F
Staphylococcus aureus Fluoroquinolone resistance protein MIC 256.0 ug.mL-1 10.1039/C4MD00196F
Staphylococcus aureus Quinolone resistance protein norA FC 0.0 None 10.1016/j.bmcl.2016.07.062
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1016/j.bmc.2008.09.042
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1016/j.bmcl.2016.07.062
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1016/j.ejmech.2009.05.004
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1016/j.ejmech.2010.05.006
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1039/C4MD00196F
Staphylococcus aureus Quinolone resistance protein norA logPF 1.78 None 10.1016/j.ejmech.2009.05.004
Staphylococcus aureus Quinolone resistance protein norA MEC 25.0 ug ml-1 10.1016/j.bmcl.2016.07.062
Staphylococcus aureus Quinolone resistance protein norA MEC 25.0 ug ml-1 10.1016/j.ejmech.2009.05.004
Staphylococcus aureus Quinolone resistance protein norA MEC 50.0 ug ml-1 10.1016/j.bmcl.2016.07.062
Staphylococcus aureus Quinolone resistance protein norA MEC 50.0 ug ml-1 10.1016/j.ejmech.2010.05.006
Staphylococcus aureus Quinolone resistance protein norA MIC 2.0 ug.mL-1 10.1016/j.bmc.2008.05.030
Staphylococcus aureus Quinolone resistance protein norA MIC 4.0 ug.mL-1 10.1039/C4MD00196F
Staphylococcus aureus Quinolone resistance protein norA MIC 100.0 ug.mL-1 10.1016/j.ejmech.2009.05.004
Staphylococcus aureus Quinolone resistance protein norA PF 60.0 None 10.1016/j.ejmech.2009.05.004
Staphylococcus aureus Staphylococcus aureus IC50 72300.0 nM 10.1021/acs.jnatprod.7b00654
Staphylococcus aureus Staphylococcus aureus IZ 12.0 mm 10.1016/j.ejmech.2019.04.002
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1016/j.bmcl.2016.07.062
Staphylococcus aureus Staphylococcus aureus MIC 300.0 ug.mL-1 10.1007/s00044-013-0541-4
Staphylococcus aureus Staphylococcus aureus MIC 50000.0 ug.mL-1 10.1016/j.ejmech.2019.04.002
Staphylococcus aureus Staphylococcus aureus MIC 119000.0 nM 10.1021/acs.jnatprod.7b00654
Trypanosoma cruzi Trypanosoma cruzi IC50 4910.0 nM 10.1016/j.bmc.2007.12.049
Trypanosoma cruzi Trypanosoma cruzi IC50 4910.0 nM 10.1016/j.bmcl.2004.04.019
Trypanosoma cruzi Trypanosoma cruzi IC50 5000.0 nM 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 7310.0 nM 10.1016/j.bmc.2007.12.049
Trypanosoma cruzi Trypanosoma cruzi IC50 7360.0 nM 10.1016/j.bmcl.2004.04.019
Trypanosoma cruzi Trypanosoma cruzi IC50 233000.0 nM 10.1007/s00044-008-9161-9
Trypanosoma cruzi Trypanothione reductase Inhibition 11.0 % 10.1016/j.bmc.2008.05.074
None ADMET Activity nan None 10.1021/acs.jnatprod.0c01018
None ADMET CC50 2350000.0 nM 10.1016/j.bmcl.2013.01.118
None ADMET LD50 20.01 uM 10.1016/j.bmc.2007.12.049
None ADMET log Pe -3.87 None 10.1016/j.bmcl.2012.09.056
None Molecular identity unknown Potency 28183.8 nM None
None No relevant target CHI 73.45 None 10.1016/j.ejmech.2019.111770
None No relevant target LogD 2.39 None 10.1016/j.ejmech.2019.111770
None No relevant target -log(solubility) 4.15 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 4.36 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 4.55 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 4.85 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) nan None 10.1016/j.bmcl.2015.02.013
None No relevant target Retention_time 10.61 min 10.1016/j.ejmech.2019.111770
None Nucleic Acid Binding 56.6 pM 30min-1 (mg of DNA)-1 10.1016/0960-894X(95)00272-U
None Nucleic Acid Binding 70.0 pM 30min-1 (mg of DNA)-1 10.1016/0960-894X(95)00272-U
None Nucleic Acid Binding 96.6 pM 30min-1 (mg of DNA)-1 10.1016/0960-894X(95)00272-U
None Nucleic Acid Inhibition 27.0 % 10.1016/0960-894X(95)00272-U
None Nucleic Acid Inhibition 47.0 % 10.1016/0960-894X(95)00272-U
None Nucleic Acid Inhibition 57.0 % 10.1016/0960-894X(95)00272-U
None Peritoneal macrophage cell Inhibition 2.0 % 10.1016/j.bmc.2009.08.050
None Peritoneal macrophage cell Inhibition 11.0 % 10.1016/j.bmc.2009.08.050
None Peritoneal macrophage cell Inhibition 49.0 % 10.1016/j.bmc.2009.08.050
None Unchecked Activity 80.0 % 10.1021/acs.jnatprod.0c01018
None Unchecked Activity 204.0 % 10.1021/np900656g
None Unchecked Activity 226.0 % 10.1021/np900656g
None Unchecked Activity 302.0 % 10.1021/np900656g
None Unchecked Activity 334.0 % 10.1021/np900656g
None Unchecked Activity 391.0 % 10.1021/np900656g
None Unchecked Activity nan None 10.1021/acs.jnatprod.0c01018
None Unchecked Activity nan None 10.1021/np900656g
None Unchecked EC50 52000.0 nM 10.1021/np900656g
None Unchecked FC 0.0 None 10.1039/C4MD00196F
None Unchecked FC 1.8 None 10.1021/acs.jnatprod.0c01018
None Unchecked FC 7.0 None 10.1016/j.ejmech.2017.06.047
None Unchecked FC 14.0 None 10.1016/j.ejmech.2017.06.047
None Unchecked FC 32.0 None 10.1016/j.ejmech.2017.06.047
None Unchecked IC50 1200000.0 nM 10.1021/np900656g
None Unchecked Inhibition 67.3 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 67.5 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 75.0 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 85.1 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 86.6 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 90.0 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition 90.2 % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.10.047
None Unchecked Inhibition nan % 10.1021/acs.jnatprod.1c01154
None Unchecked MIC 32.0 ug.mL-1 10.1039/C4MD00196F
None Unchecked MIC 64.0 ug.mL-1 10.1039/C4MD00196F
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio CC50/IC50 15.7 None 10.1016/j.bmcl.2013.01.118
None Unchecked Ratio CC50/IC50 16.8 None 10.1016/j.bmcl.2013.01.118
None Unchecked Ratio IC50 1.55 None 10.1016/j.bmcl.2012.02.090
None Unchecked Ratio IC50 10.0 None 10.1016/j.ejmech.2019.111770

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001595 C1CCNCC1.O=C([CoA])/C=C/C=C/c1ccc2c(c1)OCO2>>O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 PIPERIDINE-N-PIPEROYLTRANSFERASE-RXN