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name Structure Reference Source Properties Activities Metabolism

Piplartine

AlkaPlorer ID: AK319147

Synonym: None

IUPAC Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

Structure

SMILES: COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OC

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InChI: InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+

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InChIKey: VABYUUZNAVQNPG-BQYQJAHWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Crocus corsicus Crocus Iridaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brickellia longifolia Brickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Silene banksia Silene Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cochlearia officinalis Cochlearia Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Frullania brasiliensis Frullania Frullaniaceae Porellales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Hippocrepis emerus Hippocrepis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Didymosphaeria enalia Didymosphaeria Didymosphaeriaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Plenckia populnea Plenckia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Matsumurella chinensis Matsumurella Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Galium verum Galium Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Robinia pseudoacacia Robinia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dichotomanthes tristaniicarpa Dichotomanthes Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Agaricus xanthodermus Agaricus Agaricaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Pinus aristata Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Gymnadenia conopsea Gymnadenia Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dryopteris arguta Dryopteris Dryopteridaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Piper longum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper cenocladum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper retrofractum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Verbesina virginica Verbesina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bellardia viscosa Bellardia Orobanchaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mycoplasma mycoides Mycoplasma Mycoplasmataceae Mycoplasmatales Mollicutes Mycoplasmatota None Bacteria
Penicillium tardum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Gyalolechia fulgida Gyalolechia Teloschistaceae Teloschistales Lecanoromycetes Ascomycota Fungi Eukaryota
Bupleurum rigidum Bupleurum Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Palisota barteri Palisota Commelinaceae Commelinales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Carpesium longifolium Carpesium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Photorhabdus luminescens Photorhabdus Morganellaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Leifsonia aquatica Leifsonia Microbacteriaceae Micrococcales Actinomycetes Actinomycetota None Bacteria
Coelogyne nitida Coelogyne Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 317.34100000000007

TPSA？: 65.07000000000001

MolLogP？: 2.0407

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Blumeria graminis Blumeria graminis Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Botrytis cinerea Botrytis cinerea Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Candida albicans Candida albicans IC50 94600.0 nM 10.1016/j.ejmech.2019.04.009
Candida parapsilosis Candida parapsilosis IC50 94600.0 nM 10.1016/j.ejmech.2019.04.009
Chlorocebus sabaeus Vero C1008 CC50 9550.0 nM 10.6019/CHEMBL4651402
Chlorocebus sabaeus Vero C1008 pCC50 5.02 None 10.6019/CHEMBL4651402
Escherichia coli K-12 Beta-lactamase AmpC Potency 3981.1 nM None
Homo sapiens 20S proteasome IC50 15000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens 8-MG-BA IC50 10000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens A-375 EC50 6170.0 nM 10.1021/jm501846y
Homo sapiens A-375 IC50 2500.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens A549 Activity nan None 10.1016/j.ejmech.2017.06.046
Homo sapiens A549 Activity nan None 10.1021/jm501846y
Homo sapiens A549 EC50 12200.0 nM 10.1021/jm501846y
Homo sapiens A549 ED50 0.6 ug ml-1 10.1021/np50072a030
Homo sapiens A549 IC50 3200.0 nM 10.1016/j.ejmech.2020.112610
Homo sapiens A549 IC50 6540.0 nM 10.1016/j.ejmech.2015.10.052
Homo sapiens A549 IC50 6840.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens A549 IC50 10000.0 nM 10.1016/j.bmcl.2016.08.016
Homo sapiens A549 IC50 10170.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens A549 IC50 15220.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens A549 IC50 15280.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens A549 IC50 22850.0 nM 10.1016/j.ejmech.2014.05.070
Homo sapiens A549 Inhibition nan % 10.1021/jm501846y
Homo sapiens A549 TGI 41.23 % 10.1016/j.bmcl.2016.08.016
Homo sapiens AGS IC50 20000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 10000.0 nM None
Homo sapiens Aldose reductase IC50 160000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Ataxin-2 Potency 10000.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2310.0 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 15848.9 nM None
Homo sapiens Bel-7402 IC50 5600.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens Bel-7402 IC50 5600.0 nM 10.1021/acs.jnatprod.1c00618
Homo sapiens Bel7402/5-FU Activity nan None 10.1021/acs.jnatprod.0c00599
Homo sapiens Bel7402/5-FU Activity nan None 10.1021/acs.jnatprod.1c00618
Homo sapiens Bel7402/5-FU IC50 8400.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens Bel7402/5-FU IC50 8400.0 nM 10.1021/acs.jnatprod.1c00618
Homo sapiens Catenin beta-1 Inhibition nan % 10.1021/acs.jmedchem.7b01096
Homo sapiens CCRF-CEM IC50 4400.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Cellular tumor antigen p53 Potency 3162.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 25118.9 nM None
Homo sapiens CMK IC50 421.8 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens CMK IC50 612.7 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens CMK IC50 1911.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens CMK IC50 2815.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens Cytochrome P450 3A4 Potency 50.1 nM None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 5011.9 nM None
Homo sapiens DNA polymerase iota Potency 39810.7 nM None
Homo sapiens DU-145 GI50 7100.0 nM 10.1016/j.bmcl.2018.05.025
Homo sapiens DU-145 IC50 3400.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens DU-145 Ratio 0.9 None 10.1016/j.bmcl.2018.05.025
Homo sapiens DU-145 Ratio 1.0 None 10.1016/j.bmcl.2018.05.025
Homo sapiens DU-145 Ratio 1.1 None 10.1016/j.bmcl.2018.05.025
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 19952.6 nM None
Homo sapiens Geminin Potency 2238.7 nM None
Homo sapiens Geminin Potency 8199.5 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 28183.8 nM None
Homo sapiens Glycogen synthase kinase-3 beta Inhibition nan % 10.1021/acs.jmedchem.7b01096
Homo sapiens HaCaT EC50 4460.0 nM 10.1021/jm501846y
Homo sapiens HaCaT IC50 3030.0 nM 10.1016/j.ejmech.2019.111580
Homo sapiens HaCaT IC50 16000.0 nM 10.1016/j.ejmech.2014.09.085
Homo sapiens HCT-116 Activity 53.0 % 10.1016/j.ejmech.2017.06.046
Homo sapiens HCT-116 Activity nan None 10.1016/j.bmcl.2017.04.035
Homo sapiens HCT-116 Activity nan None 10.1016/j.ejmech.2017.06.046
Homo sapiens HCT-116 Activity nan None 10.1021/acs.jmedchem.7b01096
Homo sapiens HCT-116 IC50 6040.0 nM 10.1016/j.ejmech.2014.05.070
Homo sapiens HCT-116 IC50 6380.0 nM 10.1016/j.ejmech.2022.114524
Homo sapiens HCT-116 IC50 6900.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens HCT-116 IC50 7340.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens HCT-116 IC50 8130.0 nM 10.1016/j.ejmech.2017.06.046
Homo sapiens HCT-116 IC50 8130.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens HCT-116 IC50 8170.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens HCT-116 IC50 9200.0 nM 10.1016/j.bmcl.2016.08.016
Homo sapiens HCT-116 IC50 13900.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens HCT-116 Inhibition nan % 10.1021/acs.jmedchem.7b01096
Homo sapiens HCT-116 TGI 60.6 % 10.1021/acs.jmedchem.7b01096
Homo sapiens HCT-8 IC50 2200.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens HCT-8 IC50 4100.0 nM 10.1016/j.ejmech.2017.06.046
Homo sapiens HCT-8 IC50 4100.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens HeLa IC50 16300.0 nM 10.1021/acs.jmedchem.1c01145
Homo sapiens HepG2 IC50 6800.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens HepG2 IC50 6800.0 nM 10.1021/acs.jnatprod.1c00618
Homo sapiens HepG2 IC50 8900.0 nM 10.1016/j.bmcl.2016.08.016
Homo sapiens HepG2 Potency 354.8 nM None
Homo sapiens HGC-27 IC50 760.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens HGC-27 IC50 8100.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens HGC-27 IC50 8200.0 nM 10.1021/acs.jnatprod.1c00618
Homo sapiens Histone deacetylase 6 Activity nan None 10.1021/acs.jmedchem.6b00772
Homo sapiens Histone deacetylase 6 Inhibition nan % 10.1021/acs.jmedchem.6b00772
Homo sapiens HL-60 IC50 529.2 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens HL-60 IC50 1128.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens HL-60 IC50 1778.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens HL-60 IC50 2250.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens HL-60 IC50 5300.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens HT-29 ED50 0.45 ug ml-1 10.1021/np50072a030
Homo sapiens HT-29 IC50 1400.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens HT-29 IC50 2650.0 nM 10.1016/j.ejmech.2017.06.046
Homo sapiens HT-29 IC50 2650.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens HT-29 IC50 5490.0 nM 10.1016/j.ejmech.2015.10.052
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 5804.8 nM None
Homo sapiens Jurkat IC50 1400.0 nM 10.1016/j.ejmech.2016.09.048
Homo sapiens Jurkat IC50 5000.0 nM 10.1016/j.ejmech.2016.09.048
Homo sapiens Jurkat IC50 5300.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens K562 Activity nan None 10.1016/j.ejmech.2017.06.046
Homo sapiens K562 IC50 5050.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens K562 IC50 5090.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens K562 IC50 5700.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens KB ED50 1.8 ug ml-1 10.1021/np50072a030
Homo sapiens KB IC5 5.6 uM 10.1016/j.ejmech.2021.113471
Homo sapiens KB IC50 1670.0 nM 10.1016/j.ejmech.2020.112610
Homo sapiens LN-229 IC50 10000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens LNCaP GI50 9200.0 nM 10.1016/j.bmcl.2018.05.025
Homo sapiens LNCaP GI50 10000.0 nM 10.1016/j.bmcl.2018.05.025
Homo sapiens MAP kinase ERK2 Potency 25118.9 nM None
Homo sapiens MAP kinase p38 Activity nan None 10.1021/acs.jnatprod.0c00599
Homo sapiens MCF-10A Activity 90.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF-10A Activity nan None 10.1021/acs.jmedchem.6b00772
Homo sapiens MCF7 Activity 4.3 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 4.9 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 5.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 6.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 10.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 15.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 16.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 19.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 20.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity 21.0 % 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 Activity nan None 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 IC50 1200.0 nM 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 IC50 4400.0 nM 10.1016/j.ejmech.2020.112610
Homo sapiens MCF7 IC50 6140.0 nM 10.1016/j.ejmech.2015.10.052
Homo sapiens MCF7 IC50 8000.0 nM 10.1016/j.ejmech.2016.09.048
Homo sapiens MCF7 IC50 25000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens MDA-MB-231 Activity 44.9 % 10.1016/j.ejmech.2020.112610
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.ejmech.2020.112610
Homo sapiens MDA-MB-231 IC50 1720.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens MDA-MB-231 IC50 3720.0 nM 10.1016/j.ejmech.2020.112610
Homo sapiens MDA-MB-231 IC50 8460.0 nM 10.1016/j.ejmech.2014.05.070
Homo sapiens MDA-MB-231 IC50 10600.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens Microphthalmia-associated transcription factor AC50 7403.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 8912.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens MKN-45 IC50 20000.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens MOLM-13 Activity 8.0 % 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLM-13 Activity 53.6 % 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLM-13 Activity 77.5 % 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLM-13 CI 1.1 None 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLM-13 IC50 934.5 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLM-13 IC50 1838.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens MOLT-4 IC50 1700.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 14125.4 nM None
Homo sapiens MRC5 IC50 35040.0 nM 10.1016/j.ejmech.2014.05.070
Homo sapiens MRC5 IC50 37000.0 nM 10.1016/j.bmcl.2016.08.016
Homo sapiens MV4-11 IC50 289.1 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens MV4-11 IC50 1439.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens Niemann-Pick C1 protein Potency 6309.6 nM None
Homo sapiens NSCLC IC50 9200.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 2511.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens OCI-AML-3 IC50 1109.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens OCI-AML-3 IC50 1868.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens Oxidation resistance protein 1 Activity nan None 10.1016/j.bmc.2018.06.013
Homo sapiens Paired box protein Pax-8 AC50 2690.0 nM None
Homo sapiens Paired box protein Pax-8 AC50 60530.0 nM None
Homo sapiens Parathyroid hormone receptor Potency 25118.9 nM None
Homo sapiens PBMC IC50 nan None 10.1016/j.ejmech.2019.111580
Homo sapiens PC-3 GI50 10000.0 nM 10.1016/j.bmcl.2018.05.025
Homo sapiens PC-3 IC50 4900.0 nM 10.1016/j.ejmech.2021.113471
Homo sapiens Ras-related protein Rab-9A Potency 6309.6 nM None
Homo sapiens SAOS-2 Activity 26.0 % 10.1016/j.bmcl.2017.04.035
Homo sapiens SAOS-2 Activity 33.0 % 10.1016/j.bmcl.2017.04.035
Homo sapiens SAOS-2 Activity nan None 10.1016/j.bmcl.2017.04.035
Homo sapiens SAOS-2 FC 2.0 None 10.1016/j.bmcl.2017.04.035
Homo sapiens SAOS-2 IC50 7310.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens Serine/threonine-protein kinase AKT Inhibition nan % 10.1021/acs.jmedchem.7b01096
Homo sapiens Serine/threonine-protein kinase AKT Inhibition nan % 10.1021/acs.jnatprod.0c00599
Homo sapiens Serine/threonine-protein kinase mTOR Inhibition nan % 10.1021/acs.jnatprod.0c00599
Homo sapiens SH-SY5Y IC50 5940.0 nM 10.1016/j.ejmech.2019.111580
Homo sapiens Signal transducer and activator of transcription 3 IC50 7000.0 nM 10.1016/j.bmcl.2018.05.025
Homo sapiens Signal transducer and activator of transcription 3 Inhibition nan % 10.1016/j.bmcl.2018.05.025
Homo sapiens Signal transducer and activator of transcription 3 Ratio 0.3 None 10.1016/j.bmcl.2018.05.025
Homo sapiens Signal transducer and activator of transcription 3 Ratio 0.5 None 10.1016/j.bmcl.2018.05.025
Homo sapiens Signal transducer and activator of transcription 3 Ratio 0.7 None 10.1016/j.bmcl.2018.05.025
Homo sapiens Signal transducer and activator of transcription 3 Ratio 0.8 None 10.1016/j.bmcl.2018.05.025
Homo sapiens SK-HEP1 IC50 13300.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens SK-MEL-2 EC50 4390.0 nM 10.1021/jm501846y
Homo sapiens Survival motor neuron protein Potency 35481.3 nM None
Homo sapiens SW-620 IC50 4620.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens T98G IC50 4920.0 nM 10.1016/j.ejmech.2015.10.052
Homo sapiens TAR DNA-binding protein 43 Potency 22387.2 nM None
Homo sapiens Thioredoxin reductase 1 IC50 1800.0 nM 10.1021/acs.jnatprod.0c00599
Homo sapiens Thioredoxin reductase 1 IC50 45880.0 nM 10.1016/j.ejmech.2019.111580
Homo sapiens Thioredoxin reductase 1 IC50 nan None 10.1016/j.ejmech.2019.111580
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1835.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2059.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 2592.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 4109.5 nM None
Homo sapiens U2OS IC50 9490.0 nM 10.1016/j.bmcl.2017.04.035
Homo sapiens U-87 MG IC50 7180.0 nM 10.1016/j.ejmech.2019.111580
Homo sapiens U-87 MG IC50 16150.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens U-87 MG IC50 17340.0 nM 10.1021/acs.jmedchem.7b01096
Homo sapiens U-937 Activity 6.2 % 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Activity 62.5 % 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Activity 81.1 % 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Activity nan None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 CI 0.9 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 IC50 767.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 IC50 2174.0 nM 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 0.6 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 0.8 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 0.9 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 1.0 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 1.4 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 1.8 None 10.1021/acs.jmedchem.6b00772
Homo sapiens U-937 Ratio 4.1 None 10.1021/acs.jmedchem.6b00772
Homo sapiens Vitamin D receptor Potency 89125.1 nM None
Homo sapiens WI-38 Activity nan None 10.1016/j.bmc.2018.06.013
Homo sapiens WI-38 EC50 8000.0 nM 10.1016/j.bmc.2018.06.013
Homo sapiens WI-38 EC50 20300.0 nM 10.1016/j.bmc.2018.06.013
Homo sapiens WI-38 IC50 26780.0 nM 10.1016/j.ejmech.2014.05.070
Homo sapiens WI-38 IC50 100000.0 nM 10.1016/j.bmcl.2017.04.035
Mesocricetus auratus BHK-21 CC50 40140.0 nM 10.1016/j.ejmech.2019.04.009
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.7b01096
Mus musculus Mus musculus MTD 1.0 g/Kg 10.1016/j.bmc.2018.06.013
Mus musculus Nuclear receptor ROR-gamma Potency 3548.1 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7943.3 nM None
Mus musculus P388 ED50 0.9 ug ml-1 10.1021/np50072a030
Mus musculus P388 IC50 2800.0 nM 10.1016/j.ejmech.2021.113471
Mus musculus RAW264.7 Activity 77.0 % 10.1016/j.bmcl.2014.10.054
Mus musculus RAW264.7 Activity 115.0 % 10.1016/j.bmcl.2014.10.054
Mus musculus RAW264.7 Activity nan None 10.1016/j.ejmech.2019.02.042
Mus musculus RAW264.7 IC50 3000.0 nM 10.1016/j.bmcl.2014.10.054
Mus musculus RAW264.7 Inhibition 11.0 % 10.1016/j.bmcl.2014.10.054
Mus musculus RAW264.7 Inhibition 91.0 % 10.1016/j.bmcl.2014.10.054
Mus musculus Transient receptor potential cation channel subfamily M member 7 Inhibition nan % None
Nakaseomyces glabratus Nakaseomyces glabratus IC50 189200.0 nM 10.1016/j.ejmech.2019.04.009
Oryctolagus cuniculus Oryctolagus cuniculus Activity 76.4 % 10.1016/j.ejmech.2021.113471
Oryctolagus cuniculus Oryctolagus cuniculus IC50 6710000.0 nM 10.1016/j.ejmech.2021.113471
Oryctolagus cuniculus Oryctolagus cuniculus IC50 20751000.0 nM 10.1016/j.ejmech.2021.113471
Phytophthora infestans Phytophthora infestans Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Pichia kudriavzevii Pichia kudriavzevii IC50 189200.0 nM 10.1016/j.ejmech.2019.04.009
Plasmodium falciparum Plasmodium falciparum Potency 9285.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
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
Pyricularia grisea Pyricularia grisea Activity 10.0 % 10.1016/S0261-2194(00)00172-1
Rattus norvegicus PC-12 Activity nan None 10.1016/j.ejmech.2020.112965
Rattus norvegicus Rattus norvegicus AUC 273.0 ng.hr.mL-1 10.1021/acs.jmedchem.7b01096
Rattus norvegicus Rattus norvegicus CL 0.001233 mL.min-1.kg-1 10.1021/acs.jmedchem.7b01096
Rattus norvegicus Rattus norvegicus Cmax 1776.64 nM 10.1021/acs.jmedchem.7b01096
Rattus norvegicus Rattus norvegicus T1/2 2.87 hr 10.1021/acs.jmedchem.7b01096
Rattus norvegicus Rattus norvegicus Vdss 0.00031 L.kg-1 10.1021/acs.jmedchem.7b01096
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic IC50 nan None 10.1016/j.ejmech.2019.111580
Rhizoctonia solani Rhizoctonia solani Activity 0.0 % 10.1016/S0261-2194(00)00172-1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 50100.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 50118.72 nM 10.6019/CHEMBL4651402
Staphylococcus aureus Staphylococcus aureus IC50 315330.0 nM 10.1016/j.ejmech.2019.04.009
Trypanosoma cruzi Trypanosoma cruzi IC50 21000.0 nM 10.1007/s00044-008-9161-9
None ADMET Activity nan None 10.1021/acs.jmedchem.5b00410
None ADMET EC50 13100.0 nM 10.1021/jm501846y
None ADMET EC50 18100.0 nM 10.1021/jm501846y
None ADMET Ratio EC50 2.5 None 10.1016/j.bmc.2018.06.013
None ADMET Ratio IC50 3.7 None 10.1016/j.bmc.2014.10.029
None ADMET Ratio IC50 5.0 None 10.1016/j.ejmech.2014.09.085
None NON-PROTEIN TARGET AC50 17390.0 nM None
None NON-PROTEIN TARGET EC50 11500.0 nM 10.1021/jm501846y
None NON-PROTEIN TARGET IC50 2000.0 nM 10.1016/j.bmc.2014.10.029
None NON-PROTEIN TARGET IC50 3200.0 nM 10.1016/j.ejmech.2014.09.085
None NON-PROTEIN TARGET IC50 3430.0 nM 10.1016/j.ejmech.2015.10.052
None NON-PROTEIN TARGET IC50 3810.0 nM 10.1016/j.ejmech.2015.10.052
None NON-PROTEIN TARGET IC50 3900.0 nM 10.1016/j.ejmech.2015.10.052
None NON-PROTEIN TARGET IC50 4040.0 nM 10.1016/j.ejmech.2015.10.052
None NON-PROTEIN TARGET IC50 5860.0 nM 10.1016/j.ejmech.2014.05.070
None NON-PROTEIN TARGET IC50 69460.0 nM 10.1016/j.ejmech.2014.05.070
None No relevant target K 0.46 /M/s 10.1016/j.ejmech.2016.11.034
None No relevant target LogD 2.84 None 10.1016/j.bmcl.2016.08.016
None No relevant target permeability 24.56 10'-6 cm/s 10.1016/j.bmcl.2016.08.016
None No relevant target Solubility 0.32 ug.mL-1 10.1021/acs.jmedchem.7b01096
None No relevant target Solubility 0.75 ug.mL-1 10.1016/j.bmcl.2016.08.016
None No relevant target Solubility 1.63 ug.mL-1 10.1016/j.ejmech.2017.06.046
None No relevant target Solubility 1.63 ug.mL-1 10.1021/acs.jmedchem.7b01096
None Platelet Inhibition 23.5 % 10.1016/j.ejmech.2019.04.009
None Platelet Inhibition 76.4 % 10.1016/j.ejmech.2019.04.009
None Platelet Inhibition 100.0 % 10.1016/j.ejmech.2019.04.009
None Unchecked Activity nan None 10.1016/j.ejmech.2016.09.048
None Unchecked Activity nan None 10.1016/j.ejmech.2020.112610
None Unchecked Activity nan None 10.1021/acs.jmedchem.6b00772
None Unchecked Activity nan None 10.1021/acs.jmedchem.7b01096
None Unchecked IC50 160.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 400.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 442.4 nM 10.1021/acs.jmedchem.6b00772
None Unchecked IC50 1037.0 nM 10.1021/acs.jmedchem.6b00772
None Unchecked IC50 1520.0 nM 10.1016/j.ejmech.2020.112610
None Unchecked IC50 1620.0 nM 10.1021/acs.jmedchem.6b00772
None Unchecked IC50 1760.0 nM 10.1016/j.ejmech.2016.10.047
None Unchecked IC50 1760.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 1800.0 nM 10.1021/acs.jnatprod.1c00618
None Unchecked IC50 2500.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 3097.0 nM 10.1021/acs.jmedchem.6b00772
None Unchecked IC50 7400.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 7850.0 nM 10.1016/j.ejmech.2020.112610
None Unchecked IC50 10000.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 11300.0 nM 10.1016/j.ejmech.2021.113471
None Unchecked IC50 44320.0 nM 10.1016/j.ejmech.2017.06.046
None Unchecked IC50 44320.0 nM 10.1021/acs.jmedchem.7b01096
None Unchecked IC50 46900.0 nM 10.1016/j.ejmech.2022.114524
None Unchecked IC50 100000.0 nM 10.1016/j.ejmech.2016.11.034
None Unchecked Inhibition 30.7 % 10.1016/j.ejmech.2016.11.034
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.09.048
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.11.034
None Unchecked Inhibition nan % 10.1016/j.ejmech.2019.02.042
None Unchecked Inhibition nan % 10.1016/j.ejmech.2020.112610
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.6b00772
None Unchecked Inhibition nan % 10.1039/C3MD00386H
None Unchecked Potency 794.3 nM None
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 4109.5 nM None
None Unchecked Potency 8199.5 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 19952.6 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio CC50/IC50 0.12 None 10.1016/j.ejmech.2019.04.009
None Unchecked Ratio CC50/IC50 0.21 None 10.1016/j.ejmech.2019.04.009
None Unchecked Ratio CC50/IC50 0.42 None 10.1016/j.ejmech.2019.04.009

Metabolism Information