Natural Product: NPC19174

Natural Product ID:  NPC19174
Common Name:   Isoliquiritigenin
IUPAC Name:   (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms:   Isoliquiritigenin
Molecular Formula:   C15H12O4
Standard InCHIKey:  DXDRHHKMWQZJHT-FPYGCLRLSA-N
Standard InCHI:  InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
Canonical SMILES:  Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32846 heamatoxylon campechianum Species NA NA Stems XiShuangBanNa, Yunnan Province, China 2005-SEP PMID[18610999]
NPO21472 Pterolobium hexapetalum Species Fabaceae Eukaryota UNPD*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota TM-MC*
NPO373 Viburnum erubescens Species Adoxaceae Eukaryota UNPD*
NPO3545 Dracaena draco Species Asparagaceae Eukaryota TCM_Taiwan*
NPO8257 Carpha glomerata Species Cyperaceae Eukaryota UNPD*
NPO16306 Curcuma caesia Species Zingiberaceae Eukaryota UNPD*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TM-MC*
NPO2670 Maytenus chuchuhuasha Species Celastraceae Eukaryota UNPD*
NPO3634 Robinia pseudoacacia Species Fabaceae Eukaryota TCM_Taiwan*
NPO1293 Streptomyces matensis Species Streptomycetaceae Bacteria UNPD*
NPO2765 Oxytropis falcata Species Fabaceae Eukaryota UNPD*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota TM-MC*
NPO1398 Trichodesma incanum Species Boraginaceae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TCM_Taiwan*
NPO7608 Phelline lucida Species Phellinaceae Eukaryota UNPD*
NPO9998 Abies excelsa Species Pinaceae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TM-MC*
NPO7845 Tephrosia elata Species Geometridae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota PMID[16675659]
NPO206 Ormosia nobilis Species Limoniidae Eukaryota UNPD*
NPO7635 Glycine max Species Fabaceae Eukaryota Root PMID[1622242]
NPO13192 Chara ceratophylla Species Characeae Eukaryota UNPD*
NPO5086 Alternaria macrospora Species Pleosporaceae Eukaryota UNPD*
NPO6792 Hedysarum polybotrys Species Fabaceae Eukaryota TM-MC*
NPO5870 Xenia florida Species Xeniidae Eukaryota UNPD*
NPO7960 Cicer arietinum Species Fabaceae Eukaryota TCM_Taiwan*
NPO3059 Erythrina pallida Species Fabaceae Eukaryota UNPD*
NPO4901 Arnica mollis Species Asteraceae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota UNPD*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota UNPD*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota heartwood PMID[23743282]
NPO12726 Piptostigma fugax Species Annonaceae Eukaryota UNPD*
NPO2046 Cathormion altissimum Species Fabaceae Eukaryota UNPD*
NPO22160 Polygonatum cyrtonema Species Asparagaceae Eukaryota TM-MC*
NPO33288 brazilian red propolis Species NA NA Brazil PMID[17950610]
NPO26741 Anemarrhena asphodeloides Species Asparagaceae Eukaryota rhizomes PMID[19757853]
NPO11046 Ocimum pilosum Species Lamiaceae Eukaryota UNPD*
NPO8790 Cyanostegia angustifolia Species Lamiaceae Eukaryota UNPD*
NPO5956 Polygonatum falcatum Species Asparagaceae Eukaryota TM-MC*
NPO24287 Dalbergia louvelii Species Fabaceae Eukaryota PMID[14640516]
NPO4323 Morinda citrifolia Species Rubiaceae Eukaryota roots PMID[18076142]
NPO10080 Teucrium betonicum Species Lamiaceae Eukaryota UNPD*
NPO9091 Orthosiphon spicatus Species Lamiaceae Eukaryota UNPD*
NPO29146 Polygonatum kingianum Species Asparagaceae Eukaryota TM-MC*
NPO5140 Dipteryx odorata Species Fabaceae Eukaryota Seeds PMID[12762787]
NPO9594 Lysimachia fordiana Species Primulaceae Eukaryota UNPD*
NPO20585 Urochloa decumbens Species Poaceae Eukaryota UNPD*
NPO9342 Solenopsis punctaticeps Species Campanulaceae Eukaryota UNPD*
NPO9935 Polygonatum sibiricum Species Asparagaceae Eukaryota TM-MC*
NPO33288 brazilian red propolis Species NA NA Brazil PMID[18440233]
NPO4123 Trididemnum cyanophorum Species Didemnidae Eukaryota UNPD*
NPO784 Sinapis alba Species Brassicaceae Eukaryota UNPD*
NPO25653 Spatholobus suberectus Species Fabaceae Eukaryota TM-MC*
NPO11841 Psorothamnus arborescens Species Fabaceae Eukaryota Root PMID[16441066]
NPO29804 Nepalese propolis NA NA NA PMID[15974608]
NPO593 Wikstroemia viridiflora Species Thymelaeaceae Eukaryota UNPD*
NPO1086 Botrytis cinerea Species Sclerotiniaceae Eukaryota UNPD*
NPO6361 Turpinia arguta Species Staphyleaceae Eukaryota TM-MC*
NPO5380 Eucalyptus australiana Species Myrtaceae Eukaryota UNPD*
NPO7032 Marasmiellus troyanus Species Omphalotaceae Eukaryota UNPD*
NPO26741 Anemarrhena asphodeloides Species Asparagaceae Eukaryota TCMID*
NPO3544 Sophora mollis Species Fabaceae Eukaryota roots PMID[19572738]
NPO875 Cryptocarya oblata Species Lauraceae Eukaryota UNPD*
NPO3838 Chrysosporum ovalisporum Species Aphanizomenonaceae Bacteria UNPD*
NPO14274 Rhododendron mucronatum Species Ericaceae Eukaryota UNPD*
NPO14114 Dalbergia parviflora Species Fabaceae Eukaryota heartwood PMID[19928832]
NPO1473 Xanthorhiza simplicissima Species Ranunculaceae Eukaryota UNPD*
NPO9737 Ampelocera edentula Species Ulmaceae Eukaryota UNPD*
NPO10038.1 Abies pinsapo var. marocana Varieties Pinaceae Eukaryota UNPD*
NPO10331 Allium ascalonicum Species Amaryllidaceae Eukaryota TCM_Taiwan*
NPO6859 Eurycoma harmandiana Species Simaroubaceae Eukaryota UNPD*
NPO8938 Halobacillus litoralis Species Bacillaceae Bacteria UNPD*
NPO10594 Centaurea solstitialis Species Asteraceae Eukaryota UNPD*
NPO12465 Glycyrrhiza yunnanensis Species Fabaceae Eukaryota TCM_Taiwan*
NPO6065 Brassica carinata Species Brassicaceae Eukaryota UNPD*
NPO4536 Remirea maritima Species Cyperaceae Eukaryota UNPD*
NPO2439 Diplopterygium glaucum Species Gleicheniaceae Eukaryota UNPD*
NPO14270 Dalbergia louveli Species Fabaceae Eukaryota heartwood PMID[14640516]
NPO12035 Rhododendron ungerni Species Ericaceae Eukaryota UNPD*
NPO5325 Lobophytum durum Species Alcyoniidae Eukaryota UNPD*
NPO14379 Onobrychis viciifolia Species Fabaceae Eukaryota UNPD*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota TCM_Taiwan*
NPO12207 Lagochilus leiacanthus Species Lamiaceae Eukaryota UNPD*
NPO12557 Strychnos tricalysioides Species Loganiaceae Eukaryota UNPD*
NPO17729 Tephrosia toxicaria Species Geometridae Eukaryota Stems PMID[14510590]
NPO7418 Eucalyptus resinifera Species Myrtaceae Eukaryota UNPD*
NPO6807 Ranunculus asiaticus Species Ranunculaceae Eukaryota UNPD*
NPO18113 Crinum bulbispermum Species Amaryllidaceae Eukaryota bulb DOI[10.1016/S0031-9422(00)00184-9]
NPO16013 Inga velutina Species Fabaceae Eukaryota UNPD*
NPO7565 Allium azureum ledeb Species Amaryllidaceae Eukaryota TCMSP*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota TCM_Taiwan*
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota PMID[9525107]
NPO20045 Burkholderia cepacia Species Burkholderiaceae Bacteria UNPD*
NPO29659 Myristicae semen NA NA NA TCMSP*
NPO20188 Sinofranchetia chinensis Species Lardizabalaceae Eukaryota PMID[11501051]
NPO10026 Mitracarpus scaber Species Rubiaceae Eukaryota UNPD*
NPO15835 Glycyrrhiza Species Fabaceae Eukaryota TCMSP*
NPO20312 Pterocarpus marsupium Species Fabaceae Eukaryota bark DOI[10.1021/np50031a029]
NPO7731 Lactuca serriola Species Asteraceae Eukaryota UNPD*
NPO5857 Achlya heterosexualis Species Saprolegniaceae Eukaryota UNPD*
NPO29539 Sedi herba NA NA NA TCMSP*
NPO20312 Pterocarpus marsupium Species Fabaceae Eukaryota heartwood DOI[10.1021/np50031a029]
NPO13683 Cosmos diversifolius Species Asteraceae Eukaryota UNPD*
NPO2131 Dactylorhiza viridis Species Orchidaceae Eukaryota UNPD*
NPO29678 Polygonati rhizoma NA NA NA TCMSP*
NPO227 Sophora tomentosa Species Fabaceae Eukaryota TCM_Taiwan*
NPO8025 Aaptos ciliata Species Suberitidae Eukaryota UNPD*
NPO13474 Euphrasia genargentea Species Orobanchaceae Eukaryota UNPD*
NPO9499 Epimrdii herba NA NA NA TCMSP*
NPO24543 Platymiscium floribundum Species Fabaceae Eukaryota PMID[21866899]
NPO14075 Streptomyces viridogenes Species Streptomycetaceae Bacteria UNPD*
NPO8171 Artocarpus altilis Species Moraceae Eukaryota UNPD*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TCM_Taiwan*
NPO3344 Bryonia alba Species Cucurbitaceae Eukaryota UNPD*
NPO5608 Croton gratissimus Species Euphorbiaceae Eukaryota UNPD*
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota TM-MC*
NPO3151 Solanum lanceolatum Species Solanaceae Eukaryota UNPD*
NPO10892 Xanthorrhoea resinosa Species Asphodelaceae Eukaryota UNPD*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota PMID[21866899]
NPO10928 Xenia obscuronata Species Xeniidae Eukaryota UNPD*
NPO10132 Schizophyllum lobatum Species Schizophyllaceae Eukaryota UNPD*
NPO24846 Astragalus membranaceus Species Fabaceae Eukaryota TM-MC*
NPO30034 Onobrychis vicllfolia Species Fabaceae Eukaryota TCM_Taiwan*
NPO9867 Ixeris debilis Species Asteraceae Eukaryota UNPD*
NPO2469 Erythrophleum couminga Species Fabaceae Eukaryota UNPD*
NPO15715 Astragalus mongholicus Species Fabaceae Eukaryota TM-MC*
NPO30213 Glycyrrhiza Genus Fabaceae Eukaryota Root Chem. Pharm. Bull.,1978,26: 144
NPO12386 Russula japonica Species Russulaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 IC50 > 100000 nM 9767632
NPT25 Cell Line MT4 Homo sapiens CC50 = 7400 nM 9767632
NPT91 Cell Line KB Homo sapiens CC50 = 12000 nM 9767632
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus IC50 = 35000 nM 8254620
NPT1476 Protein Family Cyclooxygenase Homo sapiens IC50 = 130000 nM 8254620
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 9 % 8254620
NPT12 Individual Protein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 IC50 = 100000 nM 11831895
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.011 nM 9857096
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 250 ug/ml 17112640
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 250 ug/ml 17112640
NPT1477 Organism Staphylococcus haemolyticus Staphylococcus haemolyticus MIC = 250 ug/ml 17112640
NPT2 Others Unspecified Activity = 4.3 nM 18076142
NPT2 Others Unspecified Ratio = 9.2 18076142
NPT461 Cell Line PANC-1 Homo sapiens CD100 > 0.1 nM 17950610
NPT2 Others Unspecified IC50 = 21800 nM 18440233
NPT2 Others Unspecified IC50 = 80500 nM 18440233
NPT2 Others Unspecified IC50 = 84000 nM 18440233
NPT81 Cell Line A549 Homo sapiens IC50 = 98900 nM 18440233
NPT165 Cell Line HeLa Homo sapiens IC50 = 82600 nM 18440233
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 76700 nM 18440233
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 3.9 nM 14510590
NPT2 Others Unspecified Ratio = 10.1 14510590
NPT2 Others Unspecified Inhibition = 76 % 14510590
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 7800 nM 14640516
NPT2 Others Unspecified Inhibition = 76 % 12762787
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 3.8 nM 12762787
NPT2 Others Unspecified IC50 = 27300 nM 12762787
NPT2 Others Unspecified Ratio = 7.2 12762787
NPT2 Others Unspecified IC50 = 15000 nM 18558745
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 62.5 ug/ml 18951808
NPT314 Organism Bacillus cereus Bacillus cereus MBC = 62.5 ug/ml 18951808
NPT19 Organism Escherichia coli Escherichia coli MIC = 2000 ug/ml 18951808
NPT19 Organism Escherichia coli Escherichia coli MBC = 2000 ug/ml 18951808
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 2000 ug/ml 18951808
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MBC = 2000 ug/ml 18951808
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 62.5 ug/ml 18951808
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 62.5 ug/ml 18951808
NPT2 Others Unspecified IC50 = 19600 nM 16562858
NPT2 Others Unspecified Ratio = 11 16562858
NPT440 Individual Protein Quinone oxidoreductase Mus musculus Activity = 9.91 nM 16562858
NPT440 Individual Protein Quinone oxidoreductase Mus musculus Activity = 2.22 nM 16562858
NPT2 Others Unspecified IC50 = 16200 nM 16562858
NPT2 Others Unspecified IC50 = 22000 nM 16562858
NPT2 Others Unspecified Ratio = 2 16562858
NPT2 Others Unspecified Ratio = 10 16562858
NPT2 Others Unspecified Inhibition = 76 % 16562858
NPT2 Others Unspecified IC50 = 29300 nM 15974608
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 > 60000 nM 17125223
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 20700 nM 16441066
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 32800 nM 16441066
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 65600 nM 16441066
NPT306 Cell Line PC-3 Homo sapiens IC50 = 46400 nM 16441066
NPT440 Individual Protein Quinone oxidoreductase Mus musculus Activity = 1.8 nM 16562858
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens Inhibition = 0 % 18610999
NPT1478 Individual Protein Vascular endothelial growth factor receptor 2 Homo sapiens Inhibition = 14 % 18610999
NPT1479 Individual Protein Stem cell growth factor receptor Homo sapiens Inhibition = 10.8 % 18610999
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens Inhibition = 0 % 18610999
NPT1480 Individual Protein Fibroblast growth factor receptor 1 Homo sapiens Inhibition = 13.1 % 18610999
NPT1481 Individual Protein Fibroblast growth factor receptor 2 Homo sapiens Inhibition = 0 % 18610999
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 32000 nM 19572738
NPT1161 Cell Line CHO Cricetulus griseus IC50 = 45900 nM 19572738
NPT2 Others Unspecified Ratio IC50 = 1 19572738
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 1.25 19807106
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens FC = 1.3 19807106
NPT2 Others Unspecified IC50 > 20000 nM 19883086
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 > 50000 nM 19632832
NPT2 Others Unspecified IC50 = 9000 nM 20064716
NPT2 Others Unspecified Ki = 9900 nM 20064716
NPT396 Cell Line T47D Homo sapiens Activity > 0.1 nM 19928832
NPT83 Cell Line MCF7 Homo sapiens Activity > 0.1 nM 19928832
NPT83 Cell Line MCF7 Homo sapiens Activity = 0.01 nM 19928832
NPT396 Cell Line T47D Homo sapiens Activity = 0.001 nM 19928832
NPT83 Cell Line MCF7 Homo sapiens Activity = 0.004 nM 19928832
NPT83 Cell Line MCF7 Homo sapiens Activity = 1.1 nM 19928832
NPT520 Cell Line 3T3-L1 Mus musculus IC50 = 96400 nM 19757853
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 12589.25 nM 19734910
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 10000 nM 19734910
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 10000 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 19952.6 nM PubChem BioAssay data set
NPT1038 Individual Protein Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 16360.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT794 Individual Protein Endonuclease 4 Escherichia coli K-12 Potency = 631 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 10000 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 22387.2 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 7943.3 nM PubChem BioAssay data set
NPT796 Individual Protein Peripheral myelin protein 22 Homo sapiens Potency = 15101.4 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 15848.9 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency = 4466.8 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 26121.6 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 112201.8 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT58 Individual Protein Bloom syndrome protein Homo sapiens Potency = 50118.7 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1995.3 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 1778.3 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 28183.8 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 3.42 ug/ml 21123068
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 3.48 ug/ml 21123068
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 8.41 ug/ml 21123068
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 9.69 ug/ml 21123068
NPT493 Individual Protein Neuraminidase Influenza A virus IC50 = 10.56 ug/ml 21123068
NPT344 Individual Protein Sialidase Clostridium perfringens IC50 = 11.28 ug/ml 21123068
NPT2 Others Unspecified IC50 = 4800 nM 21112783
NPT2 Others Unspecified Ratio IC50 = 2 21112783
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 1000 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 8196.1 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 1778.3 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT1482 Individual Protein 2,3-bisphosphoglycerate-independent phosphoglycerate mutase Leishmania major Potency 37933 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT800 Individual Protein M-phase phosphoprotein 8 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 29934.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1158.2 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 23109.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 3768.6 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 6012 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14581 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 8275.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 10322.5 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 21331.3 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 2310 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 4 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 2.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -0.7 % 21493073
NPT520 Cell Line 3T3-L1 Mus musculus Activity = -33.7 % 21493073
NPT2 Others Unspecified IC50 = 68000 nM 21696954
NPT2 Others Unspecified IC50 = 48000 nM 21696954
NPT81 Cell Line A549 Homo sapiens IC50 = 85000 nM 21696954
NPT306 Cell Line PC-3 Homo sapiens IC50 = 99000 nM 21696954
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 = 75000 nM 21696954
NPT114 Cell Line LoVo Homo sapiens IC50 = 57000 nM 21696954
NPT2 Others Unspecified GI = 60 % 21696954
NPT2 Others Unspecified Activity = 7 % 21696954
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 39810.7 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 8436.8 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT189 Cell Line Vero Chlorocebus aethiops CC50 > 25000 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 2058.8 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 10691 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT519 Cell Line SH-SY5Y Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6510.4 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT466 Cell Line U-937 Homo sapiens Inhibition = 89 % 21866899
NPT466 Cell Line U-937 Homo sapiens Inhibition = 34 % 21866899
NPT466 Cell Line U-937 Homo sapiens Inhibition = 87 % 21866899
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Activity = 67 % 21866899
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Activity = 91 % 21866899
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Activity = 97 % 21866899
NPT1485 Individual Protein Collagenase Porphyromonas gingivalis Inhibition = 52 % 21866899
NPT1485 Individual Protein Collagenase Porphyromonas gingivalis Activity = 48 % 21866899
NPT1485 Individual Protein Collagenase Porphyromonas gingivalis Activity = 78 % 21866899
NPT1485 Individual Protein Collagenase Porphyromonas gingivalis Activity = 82 % 21866899
NPT1484 Organism Fusobacterium nucleatum Fusobacterium nucleatum GI = 70 % 21866899
NPT1127 Organism Porphyromonas gingivalis Porphyromonas gingivalis MIC = 40 ug/ml 21866899
NPT1128 Organism Prevotella intermedia Prevotella intermedia MIC = 10 ug/ml 21866899
NPT1128 Organism Prevotella intermedia Prevotella intermedia GI = 58 % 21866899
NPT41 Individual Protein Aldose reductase Homo sapiens IC50 = 320 nM 22261024
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 31.25 ug/ml 22169259
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 62.5 ug/ml 22169259
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 463.65 ug/ml 22169259
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 31.25 ug/ml 22169259
NPT189 Cell Line Vero Chlorocebus aethiops Ratio CC50/IC50 = 14.8 22169259
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 2930.9 nM PubChem BioAssay data set
NPT191 Organism Hepatitis C virus Hepatitis C virus EC50 = 36100 nM 22445328
NPT2 Others Unspecified CC50 > 50000 nM 22445328
NPT10 Individual Protein Geminin Homo sapiens Potency 14581 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10691 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 1122 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16360.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1032.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Inhibition = 75 % 22743086
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Activity = 75 % 22743086
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Activity = 79 % 22743086
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Activity = 55 % 22743086
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Activity = 42 % 22743086
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Activity = 30 % 22743086
NPT2 Others Unspecified IC50 = 141000 nM 21726077
NPT2 Others Unspecified IC50 = 8800 nM 21726077
NPT32 Organism Mus musculus Mus musculus Inhibition = 14.86 % 10.1007/s00044-009-9202-z
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 33000 nM 10.1007/s00044-012-0353-y
NPT68 Individual Protein Aldose reductase Rattus norvegicus IC50 = 400 nM 10.1007/s00044-012-0367-5
NPT2 Others Unspecified Potency 12995.3 nM PubChem BioAssay data set
NPT1486 Individual Protein Probable global transcription activator SNF2L2 Homo sapiens EC50 > 91140 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT35 Others n.a. EC50 > 91140 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10322.5 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 25929 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 32642.7 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 72000 nM 23743282
NPT2 Others Unspecified IC50 = 18600 nM 23786711
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens IC50 = 19700 nM 23786711
NPT1487 Individual Protein Monoamine oxidase B Rattus norvegicus IC50 = 47200 nM 23860591
NPT1488 Individual Protein Monoamine oxidase A Rattus norvegicus IC50 = 13900 nM 23860591
NPT2 Others Unspecified IC50 = 35000 nM 10.1007/s00044-013-0745-7
NPT183 Individual Protein Arachidonate 5-lipoxygenase Rattus norvegicus IC50 = 35000 nM 10.1007/s00044-013-0745-7
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 119.22 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 210.92 % 23571415
NPT2 Others Unspecified IC50 > 30000 nM 24316124
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT78 Individual Protein Beta amyloid A4 protein Homo sapiens Potency 16360.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22387.2 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 6309.6 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5623.4 nM PubChem BioAssay data set
NPT983 Protein Complex Nuclear factor NF-kappa-B complex Homo sapiens IC50 = 32000 nM 24775915
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 15.6 ug/ml 25137491
NPT410 Individual Protein Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens EC50 = 11600 nM 25232969
NPT410 Individual Protein Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens Ratio = 6.5 25232969
NPT111 Cell Line K562 Homo sapiens IC50 = 29270 nM 25590864
NPT737 Cell Line HUVEC Homo sapiens IC50 = 41170 nM 25590864
NPT2 Others Unspecified Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 100000 nM 26351039
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 98.1 % 26508549
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 94.6 % 26508549
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 26690274
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000 nM 26690274
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens FC = 5.88 26841168

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC19174 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC267552
1.0 High Similarity NPC45438
1.0 High Similarity NPC224273
1.0 High Similarity NPC143427
1.0 High Similarity NPC73532
1.0 High Similarity NPC115159
0.9913 High Similarity NPC133909
0.9913 High Similarity NPC32032
0.9912 High Similarity NPC297186
0.9826 High Similarity NPC156139
0.9826 High Similarity NPC242895
0.9744 High Similarity NPC13238
0.9737 High Similarity NPC158222
0.9652 High Similarity NPC159525
0.958 High Similarity NPC8745
0.9565 High Similarity NPC161617
0.95 High Similarity NPC103356
0.95 High Similarity NPC72158
0.95 High Similarity NPC162612
0.95 High Similarity NPC30501
0.95 High Similarity NPC100067
0.95 High Similarity NPC266689
0.95 High Similarity NPC98254
0.95 High Similarity NPC190043
0.95 High Similarity NPC23126
0.95 High Similarity NPC169250
0.95 High Similarity NPC105157
0.9496 High Similarity NPC10926
0.9487 High Similarity NPC196976
0.9478 High Similarity NPC209486
0.9478 High Similarity NPC40649
0.9421 High Similarity NPC221777
0.9421 High Similarity NPC473017
0.9421 High Similarity NPC21305
0.9417 High Similarity NPC267846
0.9417 High Similarity NPC62952
0.9344 High Similarity NPC102829
0.9344 High Similarity NPC474998
0.9344 High Similarity NPC120488
0.9339 High Similarity NPC116513
0.9316 High Similarity NPC294037
0.9268 High Similarity NPC26697
0.9244 High Similarity NPC309765
0.9237 High Similarity NPC146642
0.9237 High Similarity NPC248363
0.9237 High Similarity NPC149246
0.9231 High Similarity NPC195262
0.9231 High Similarity NPC188814
0.9194 High Similarity NPC475042
0.9194 High Similarity NPC34070
0.9194 High Similarity NPC469526
0.9187 High Similarity NPC476119
0.916 High Similarity NPC215392
0.916 High Similarity NPC303737
0.9145 High Similarity NPC241089
0.913 High Similarity NPC276111
0.913 High Similarity NPC118288
0.912 High Similarity NPC135801
0.912 High Similarity NPC262359
0.9113 High Similarity NPC233056
0.9083 High Similarity NPC91105
0.9048 High Similarity NPC129132
0.9048 High Similarity NPC139074
0.9048 High Similarity NPC205468
0.9048 High Similarity NPC257756
0.9048 High Similarity NPC212631
0.9048 High Similarity NPC213485
0.9048 High Similarity NPC40524
0.9048 High Similarity NPC87231
0.9032 High Similarity NPC109123
0.9032 High Similarity NPC92624
0.9008 High Similarity NPC65761
0.9008 High Similarity NPC472029
0.9 High Similarity NPC226275
0.8983 High Similarity NPC283844
0.8976 High Similarity NPC56031
0.8976 High Similarity NPC282780
0.8976 High Similarity NPC242294
0.8976 High Similarity NPC192304
0.8976 High Similarity NPC263670
0.8976 High Similarity NPC312318
0.8976 High Similarity NPC472365
0.8976 High Similarity NPC44437
0.8976 High Similarity NPC166480
0.8976 High Similarity NPC337373
0.8976 High Similarity NPC139813
0.8976 High Similarity NPC175098
0.8976 High Similarity NPC188646
0.8968 High Similarity NPC175738
0.8968 High Similarity NPC308037
0.8968 High Similarity NPC64359
0.8968 High Similarity NPC313618
0.896 High Similarity NPC259942
0.8906 High Similarity NPC286336
0.8906 High Similarity NPC470210
0.8906 High Similarity NPC283590
0.8906 High Similarity NPC70859
0.8906 High Similarity NPC172262
0.8906 High Similarity NPC61153
0.8906 High Similarity NPC130899
0.8898 High Similarity NPC121259
0.8898 High Similarity NPC230349
0.8889 High Similarity NPC275504
0.8862 High Similarity NPC475733
0.8837 High Similarity NPC65005
0.8837 High Similarity NPC39426
0.8837 High Similarity NPC131039
0.8837 High Similarity NPC9985
0.8837 High Similarity NPC239495
0.8837 High Similarity NPC234560
0.8837 High Similarity NPC264112
0.8837 High Similarity NPC194764
0.8828 High Similarity NPC82225
0.8828 High Similarity NPC78540
0.8828 High Similarity NPC274121
0.8828 High Similarity NPC213216
0.8828 High Similarity NPC18877
0.8828 High Similarity NPC159623
0.8828 High Similarity NPC20560
0.8828 High Similarity NPC50898
0.8828 High Similarity NPC204960
0.8828 High Similarity NPC144051
0.8828 High Similarity NPC57601
0.8828 High Similarity NPC294593
0.8828 High Similarity NPC28753
0.881 High Similarity NPC244441
0.881 High Similarity NPC185497
0.881 High Similarity NPC247779
0.881 High Similarity NPC147757
0.88 High Similarity NPC80694
0.88 High Similarity NPC186098
0.88 High Similarity NPC179898
0.879 High Similarity NPC95309
0.8772 High Similarity NPC17525
0.8769 High Similarity NPC213603
0.8769 High Similarity NPC41461
0.8769 High Similarity NPC53414
0.8769 High Similarity NPC25287
0.8769 High Similarity NPC66349
0.8769 High Similarity NPC290030
0.8769 High Similarity NPC473391
0.8769 High Similarity NPC249606
0.8769 High Similarity NPC274109
0.8769 High Similarity NPC235428
0.8769 High Similarity NPC186838
0.8769 High Similarity NPC12165
0.8769 High Similarity NPC472367
0.8769 High Similarity NPC472364
0.8769 High Similarity NPC1486
0.8769 High Similarity NPC477244
0.8769 High Similarity NPC168105
0.8769 High Similarity NPC53206
0.8769 High Similarity NPC98115
0.8769 High Similarity NPC476333
0.8769 High Similarity NPC474110
0.8769 High Similarity NPC477243
0.8769 High Similarity NPC44960
0.8769 High Similarity NPC150399
0.8769 High Similarity NPC477242
0.8769 High Similarity NPC87545
0.876 High Similarity NPC229649
0.875 High Similarity NPC267205
0.874 High Similarity NPC198249
0.873 High Similarity NPC60558
0.872 High Similarity NPC305518
0.872 High Similarity NPC128428
0.872 High Similarity NPC107672
0.8718 High Similarity NPC223004
0.871 High Similarity NPC262671
0.871 High Similarity NPC201728
0.871 High Similarity NPC477454
0.8702 High Similarity NPC209560
0.8702 High Similarity NPC294409
0.8702 High Similarity NPC181124
0.8702 High Similarity NPC153979
0.8702 High Similarity NPC250266
0.8702 High Similarity NPC7013
0.8702 High Similarity NPC275055
0.8702 High Similarity NPC116632
0.8702 High Similarity NPC317119
0.8702 High Similarity NPC212767
0.8702 High Similarity NPC254841
0.8702 High Similarity NPC299379
0.8702 High Similarity NPC303644
0.8702 High Similarity NPC266597
0.8702 High Similarity NPC290291
0.8702 High Similarity NPC188879
0.8702 High Similarity NPC162680
0.8702 High Similarity NPC472419
0.8702 High Similarity NPC175552
0.8692 High Similarity NPC156092
0.8692 High Similarity NPC254847
0.8692 High Similarity NPC13575
0.8684 High Similarity NPC141523
0.8682 High Similarity NPC475088
0.8672 High Similarity NPC475008
0.8672 High Similarity NPC164236
0.8672 High Similarity NPC113006
0.8672 High Similarity NPC128348
0.8672 High Similarity NPC186097

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC19174 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.912 High Similarity NPD943 Approved
0.8968 High Similarity NPD1240 Approved
0.8837 High Similarity NPD1510 Phase 2
0.8828 High Similarity NPD1607 Approved
0.8692 High Similarity NPD1509 Clinical (unspecified phase)
0.8636 High Similarity NPD1549 Phase 2
0.8561 High Similarity NPD1550 Clinical (unspecified phase)
0.8561 High Similarity NPD1552 Clinical (unspecified phase)
0.8409 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD74 Approved
0.8291 Intermediate Similarity NPD9266 Approved
0.8268 Intermediate Similarity NPD1470 Approved
0.8268 Intermediate Similarity NPD1164 Approved
0.824 Intermediate Similarity NPD1201 Approved
0.8205 Intermediate Similarity NPD9267 Approved
0.8205 Intermediate Similarity NPD9263 Approved
0.8205 Intermediate Similarity NPD9264 Approved
0.8205 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD1511 Approved
0.8129 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8071 Intermediate Similarity NPD1512 Approved
0.8058 Intermediate Similarity NPD7390 Discontinued
0.8049 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD9493 Approved
0.7984 Intermediate Similarity NPD1203 Approved
0.7972 Intermediate Similarity NPD4380 Phase 2
0.7956 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD2796 Approved
0.7941 Intermediate Similarity NPD1551 Phase 2
0.7929 Intermediate Similarity NPD6799 Approved
0.7891 Intermediate Similarity NPD9269 Phase 2
0.7886 Intermediate Similarity NPD9281 Approved
0.7863 Intermediate Similarity NPD9261 Approved
0.7857 Intermediate Similarity NPD9268 Approved
0.7842 Intermediate Similarity NPD3750 Approved
0.781 Intermediate Similarity NPD5406 Approved
0.781 Intermediate Similarity NPD5408 Approved
0.781 Intermediate Similarity NPD5405 Approved
0.781 Intermediate Similarity NPD5404 Approved
0.7793 Intermediate Similarity NPD7411 Suspended
0.7778 Intermediate Similarity NPD9545 Approved
0.7778 Intermediate Similarity NPD940 Approved
0.7778 Intermediate Similarity NPD846 Approved
0.774 Intermediate Similarity NPD1934 Approved
0.7717 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD3882 Suspended
0.7692 Intermediate Similarity NPD1242 Phase 1
0.7687 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD2801 Approved
0.7681 Intermediate Similarity NPD2935 Discontinued
0.7651 Intermediate Similarity NPD7075 Discontinued
0.7651 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD3749 Approved
0.7635 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD2344 Approved
0.7615 Intermediate Similarity NPD9717 Approved
0.7603 Intermediate Similarity NPD6599 Discontinued
0.7591 Intermediate Similarity NPD6651 Approved
0.7568 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD7819 Suspended
0.7556 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD1243 Approved
0.7518 Intermediate Similarity NPD2800 Approved
0.7518 Intermediate Similarity NPD230 Phase 1
0.75 Intermediate Similarity NPD6801 Discontinued
0.7482 Intermediate Similarity NPD3748 Approved
0.7426 Intermediate Similarity NPD3764 Approved
0.7413 Intermediate Similarity NPD2309 Approved
0.7405 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD5403 Approved
0.7394 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD2798 Approved
0.7379 Intermediate Similarity NPD5401 Approved
0.7372 Intermediate Similarity NPD520 Approved
0.7361 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD2799 Discontinued
0.7355 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD1237 Approved
0.7351 Intermediate Similarity NPD7768 Phase 2
0.7299 Intermediate Similarity NPD2313 Discontinued
0.7285 Intermediate Similarity NPD3817 Phase 2
0.7279 Intermediate Similarity NPD6832 Phase 2
0.7279 Intermediate Similarity NPD920 Approved
0.7273 Intermediate Similarity NPD2654 Approved
0.7273 Intermediate Similarity NPD422 Phase 1
0.7265 Intermediate Similarity NPD2934 Approved
0.7265 Intermediate Similarity NPD2933 Approved
0.7261 Intermediate Similarity NPD3818 Discontinued
0.726 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD6166 Phase 2
0.7244 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD1548 Phase 1
0.7226 Intermediate Similarity NPD6232 Discontinued
0.7218 Intermediate Similarity NPD3972 Approved
0.7203 Intermediate Similarity NPD2859 Approved
0.7203 Intermediate Similarity NPD2860 Approved
0.7197 Intermediate Similarity NPD7473 Discontinued
0.7161 Intermediate Similarity NPD6959 Discontinued
0.7143 Intermediate Similarity NPD2533 Approved
0.7143 Intermediate Similarity NPD2534 Approved
0.7143 Intermediate Similarity NPD2532 Approved
0.7125 Intermediate Similarity NPD5953 Discontinued
0.7124 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7054 Approved
0.7107 Intermediate Similarity NPD7286 Phase 2
0.7103 Intermediate Similarity NPD1196 Approved
0.7075 Intermediate Similarity NPD1543 Discontinued
0.7063 Intermediate Similarity NPD4750 Phase 3
0.7063 Intermediate Similarity NPD7074 Phase 3
0.7063 Intermediate Similarity NPD7472 Approved
0.7059 Intermediate Similarity NPD5402 Approved
0.705 Intermediate Similarity NPD3268 Approved
0.705 Intermediate Similarity NPD411 Approved
0.7034 Intermediate Similarity NPD1202 Approved
0.7034 Intermediate Similarity NPD1195 Approved
0.7025 Intermediate Similarity NPD3020 Approved
0.7021 Intermediate Similarity NPD447 Suspended
0.7019 Intermediate Similarity NPD6797 Phase 2
0.7015 Intermediate Similarity NPD1610 Phase 2
0.7007 Intermediate Similarity NPD3300 Phase 2
0.7 Intermediate Similarity NPD6020 Phase 2
0.6993 Remote Similarity NPD4308 Phase 3
0.6993 Remote Similarity NPD1465 Phase 2
0.6987 Remote Similarity NPD5494 Approved
0.6986 Remote Similarity NPD4628 Phase 3
0.6985 Remote Similarity NPD3225 Approved
0.6977 Remote Similarity NPD1241 Discontinued
0.6975 Remote Similarity NPD7251 Discontinued
0.697 Remote Similarity NPD1759 Phase 1
0.6963 Remote Similarity NPD1481 Phase 2
0.6954 Remote Similarity NPD3226 Approved
0.6944 Remote Similarity NPD6099 Approved
0.6944 Remote Similarity NPD6100 Approved
0.6934 Remote Similarity NPD2797 Approved
0.6933 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7808 Phase 3
0.6933 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1296 Phase 2
0.6923 Remote Similarity NPD9258 Approved
0.6923 Remote Similarity NPD919 Approved
0.6923 Remote Similarity NPD9256 Approved
0.6913 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1933 Approved
0.6901 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2346 Discontinued
0.6894 Remote Similarity NPD1758 Phase 1
0.6889 Remote Similarity NPD1535 Discovery
0.6884 Remote Similarity NPD1019 Discontinued
0.6871 Remote Similarity NPD6559 Discontinued
0.6866 Remote Similarity NPD2932 Approved
0.6866 Remote Similarity NPD3019 Approved
0.6861 Remote Similarity NPD1876 Approved
0.6855 Remote Similarity NPD3926 Phase 2
0.6839 Remote Similarity NPD2296 Approved
0.6839 Remote Similarity NPD4288 Approved
0.6838 Remote Similarity NPD1608 Approved
0.6835 Remote Similarity NPD9494 Approved
0.6835 Remote Similarity NPD1247 Approved
0.6824 Remote Similarity NPD6190 Approved
0.6812 Remote Similarity NPD3266 Approved
0.6812 Remote Similarity NPD3267 Approved
0.6786 Remote Similarity NPD4908 Phase 1
0.6786 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6783 Remote Similarity NPD111 Approved
0.6781 Remote Similarity NPD1471 Phase 3
0.6759 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7033 Discontinued
0.6757 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6757 Remote Similarity NPD3400 Discontinued
0.6748 Remote Similarity NPD1729 Discontinued
0.6742 Remote Similarity NPD256 Approved
0.6742 Remote Similarity NPD255 Approved
0.6732 Remote Similarity NPD7458 Discontinued
0.672 Remote Similarity NPD1931 Clinical (unspecified phase)
0.672 Remote Similarity NPD1929 Approved
0.672 Remote Similarity NPD1930 Approved
0.6719 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6713 Remote Similarity NPD4307 Phase 2
0.6711 Remote Similarity NPD2354 Approved
0.6707 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6694 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9568 Approved
0.669 Remote Similarity NPD9279 Approved
0.669 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6687 Remote Similarity NPD5844 Phase 1
0.6686 Remote Similarity NPD4287 Approved
0.6667 Remote Similarity NPD3021 Approved
0.6667 Remote Similarity NPD9089 Approved
0.6667 Remote Similarity NPD1755 Approved
0.6667 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3022 Approved
0.6644 Remote Similarity NPD7003 Approved
0.6639 Remote Similarity NPD844 Approved
0.6639 Remote Similarity NPD1809 Phase 2

Structure

External Identifiers

PubChem CID   638278
ChEMBL   CHEMBL129795
ZINC  

Physicochemical Properties

Molecular Weight:  256.07
ALogP:  -1.2836
MLogP:  2.67
XLogP:  2.764
# Rotatable Bonds:  6
Polar Surface Area:  77.76
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  19

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Structure MOL file  
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Biological Activities  
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