Natural Product: NPC74539

Natural Product ID:  NPC74539
Common Name:   Bergapten
IUPAC Name:   4-methoxyfuro[3,2-g]chromen-7-one
Synonyms:   Bergapten
Molecular Formula:   C12H8O4
Standard InCHIKey:  BGEBZHIAGXMEMV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
Canonical SMILES:  COc1c2ccc(=O)oc2cc2c1cco2
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
NPO16296 Macrococculus pomiferus Species Menispermaceae Eukaryota UNPD*
NPO23383 Nigritella suaveolens NA NA NA UNPD*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO22042 Kaunia arbuscularis Species Asteraceae Eukaryota UNPD*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCMID*
NPO23356 Ascodesmis sphaerospora Species Ascodesmidaceae Eukaryota UNPD*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO22227 Sambucus ebulus Species Adoxaceae Eukaryota UNPD*
NPO23588 Ursinia anthemoides Species Asteraceae Eukaryota UNPD*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO19322 Davallia solida Species Davalliaceae Eukaryota UNPD*
NPO25309 Seseli sp. Species Apiaceae Eukaryota TCMID*
NPO6873 Salvia xalapensis Species Lamiaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMSP*
NPO14871 Cladonia squamosula Species Cladoniaceae Eukaryota UNPD*
NPO21460 Anethum graveolens Species Apiaceae Eukaryota UNPD*
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota TM-MC*
NPO9329 Acanthus montanus Species Acanthaceae Eukaryota UNPD*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TCMID*
NPO20922 Colutea arborescens Species Fabaceae Eukaryota UNPD*
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota TCM_Taiwan*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO29603 Saussureae involucratae herba NA NA NA TCMSP*
NPO13482 Nierembergia hippomanica Species Solanaceae Eukaryota UNPD*
NPO24984 Hydrocotyle leucocephala Species Araliaceae Eukaryota UNPD*
NPO900 Cnidium monieri Species Apiaceae Eukaryota TM-MC*
NPO7329 Ligularia pleurocaulis Species Asteraceae Eukaryota UNPD*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TCMID*
NPO20045 Burkholderia cepacia Species Burkholderiaceae Bacteria UNPD*
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota HerDing*
NPO18674 Juglans regia Species Juglandaceae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota UNPD*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota UNPD*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota TM-MC*
NPO16778 Leptospermum liversidgei Species Myrtaceae Eukaryota UNPD*
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota TCMID*
NPO7344 Spiraea prunifolia Species Rosaceae Eukaryota UNPD*
NPO24780 Oppopanax chironium NA NA NA HerDing*
NPO16614 Zanthoxylum spinosum Species Rutaceae Eukaryota UNPD*
NPO29618 Citri grandis exocarpium NA NA NA TCMSP*
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota UNPD*
NPO21470 Conoideocrella tenuis Species Clavicipitaceae Eukaryota UNPD*
NPO7745 Agathis macrophylla Species Araucariaceae Eukaryota UNPD*
NPO23824 Pinus albicaulis Species Pinaceae Eukaryota UNPD*
NPO23156 Maclura cochinchinensis Species Moraceae Eukaryota TCMID*
NPO22298 Inula thapsoides Species Asteraceae Eukaryota UNPD*
NPO29746 Heracleum sp Species Apiaceae Eukaryota HerDing*
NPO10614 Pinus krempfii Species Pinaceae Eukaryota UNPD*
NPO18129 Notopterygii rhizoma et radix NA NA NA TCMSP*
NPO23490 Dalbergia monetaria Species Fabaceae Eukaryota UNPD*
NPO23398 Caralluma russeliana Species Apocynaceae Eukaryota UNPD*
NPO29262 Cranfillia vulcanica Species Blechnaceae Eukaryota UNPD*
NPO24066 Nocardia brasiliensis Species Nocardiaceae Bacteria UNPD*
NPO21080 Solanum lycopersicum Species Solanaceae Eukaryota TCMID*
NPO20077 Posoqueria latifolia Species Rubiaceae Eukaryota UNPD*
NPO29752 Cudrania cochinchinensis NA NA NA HerDing*
NPO12569 Trixis inula Species Asteraceae Eukaryota UNPD*
NPO29710 Saposhnikoviae radix NA NA NA TCMSP*
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota UNPD*
NPO27144 Daiswa dunniana Species Melanthiaceae Eukaryota UNPD*
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota UNPD*
NPO6769 Meeboldia yunnanensis Species Apiaceae Eukaryota TCMID*
NPO12210 Hypoxylon sclerophaeum Species Xylariaceae Eukaryota UNPD*
NPO29835 Seseli sp Species Apiaceae Eukaryota HerDing*
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota UNPD*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO19880 Palicourea alpina Species Rubiaceae Eukaryota UNPD*
NPO12758 Thalassia testudinum Species Hydrocharitaceae Eukaryota UNPD*
NPO21212 Scrophularia smithii Species Scrophulariaceae Eukaryota UNPD*
NPO22746 Salix sieboldiana Species Salicaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCMID*
NPO21587 Hypericum papuanum Species Hypericaceae Eukaryota UNPD*
NPO30125 Notopterygium forbesii NA NA NA TCM_Taiwan*
NPO30427 Ligusticum sp Species Apiaceae Eukaryota HerDing*
NPO19895 Plectranthus hereroensis Species Lamiaceae Eukaryota UNPD*
NPO29656 Phytolaccae radix NA NA NA TCMSP*
NPO20190 Oxandra xylopioides Species Annonaceae Eukaryota UNPD*
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota UNPD*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*
NPO9814 Lactarius fuliginosus Species Russulaceae Eukaryota UNPD*
NPO24771 Boenninghausenia albiflora Species Rutaceae Eukaryota TCMID*
NPO2815 Schenkia spicata Species Gentianaceae Eukaryota UNPD*
NPO21023 Astilbe koreana Species Saxifragaceae Eukaryota UNPD*
NPO30713 Angelica talwaniana Species Apiaceae Eukaryota TCM_Taiwan*
NPO22063 Solanum lycocarpum Species Solanaceae Eukaryota UNPD*
NPO13736 Cnidii fructus NA NA NA TCMSP*
NPO662 Angelica officinalis Species Apiaceae Eukaryota UNPD*
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota UNPD*
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota TM-MC*
NPO10757 Cyanospira rippkae Species Aphanizomenonaceae Bacteria UNPD*
NPO24396 Grosvenoria rimbachii NA NA NA UNPD*
NPO12338 Petroselinum sp. Species Apiaceae Eukaryota TCMID*
NPO23631 Ferula foetida Species Apiaceae Eukaryota UNPD*
NPO30719 Petroselinum sp Species Apiaceae Eukaryota HerDing*
NPO13106 Rhodomyrtus tomentosa Species Myrtaceae Eukaryota UNPD*
NPO17691 Santalum album Species Santalaceae Eukaryota TCMSP*
NPO22689 Cassia carnaval Species Fabaceae Eukaryota UNPD*
NPO23345 Azospirillum lipoferum Species Rhodospirillaceae Bacteria UNPD*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TM-MC*
NPO5253 Salvia oxyodon Species Lamiaceae Eukaryota UNPD*
NPO20953 Coprosma acerosa Species Rubiaceae Eukaryota UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota TCMID*
NPO20696 Colchicum macedonicum Species Colchicaceae Eukaryota UNPD*
NPO30818 Sinodielsia yunnanensis Species Apiaceae Eukaryota HerDing*
NPO11147 Spongia hispida Species Spongiidae Eukaryota UNPD*
NPO29621 Portulacae herba NA NA NA TCMSP*
NPO24658 Dillenia papuana Species Dilleniaceae Eukaryota UNPD*
NPO13159 Sauropus quadrangularis Species Phyllanthaceae Eukaryota UNPD*
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota TM-MC*
NPO17581 Streptomyces fulvoviridis Species Streptomycetaceae Bacteria UNPD*
NPO22280 Anastrophyllum donnianum Species Anastrophyllaceae Eukaryota UNPD*
NPO25289 Lonchocarpus salvadorensis Species Fabaceae Eukaryota UNPD*
NPO31303 Solanum lycopersicum Species Solanaceae Eukaryota TCM_Taiwan*
NPO22218 Tilletia levis Species Tilletiaceae Eukaryota UNPD*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO18945 Aloe castanea Species Asphodelaceae Eukaryota UNPD*
NPO23207 Solanum pseudocapsicum Species Solanaceae Eukaryota UNPD*
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota TM-MC*
NPO25414 Solanum berthaultii Species Solanaceae Eukaryota UNPD*
NPO19012 Gasteria bicolor Species Asphodelaceae Eukaryota UNPD*
NPO24637 Oyedaea verbesinoides Species Asteraceae Eukaryota UNPD*
NPO31303 Solanum lycopersicum Species Solanaceae Eukaryota HerDing*
NPO20827 Boronia muelleri Species Rutaceae Eukaryota UNPD*
NPO29670 Citri exocarpium rubrum NA NA NA TCMSP*
NPO18316 Vernonia echitifolia Species Asteraceae Eukaryota UNPD*
NPO14231 Senecio barba-johannis Species Asteraceae Eukaryota UNPD*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota TM-MC*
NPO8564 Cornicularia normoerica Species Parmeliaceae Eukaryota UNPD*
NPO21400 Macrocystidia cucumis Species Tricholomataceae Eukaryota UNPD*
NPO31307 Ammi sp Species Apiaceae Eukaryota HerDing*
NPO19799 Erwinia rhapontici Species Erwiniaceae Bacteria UNPD*
NPO29661 Glehniae radix NA NA NA TCMSP*
NPO7000 Echium italicum Species Boraginaceae Eukaryota UNPD*
NPO5820 Phegopteris subaurita Species Thelypteridaceae Eukaryota UNPD*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TM-MC*
NPO20508 Ilex kaushue Species Aquifoliaceae Eukaryota UNPD*
NPO20316 Hypselodoris cantabrica Species Chromodorididae Eukaryota UNPD*
NPO31348 Phytolacca esculenta Species Phytolaccaceae Eukaryota HerDing*
NPO3509 Angelica furcijuga Species Apiaceae Eukaryota roots Miyazaki prefecture, Japan PMID[9873511]
NPO29725 Aurantii fructus immaturus NA NA NA TCMSP*
NPO18141 Solanum torvum Species Solanaceae Eukaryota UNPD*
NPO7487 Antidesma membranaceum Species Phyllanthaceae Eukaryota UNPD*
NPO12662 Torilis japonica Species Apiaceae Eukaryota TM-MC*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota UNPD*
NPO11708 Cyathus helenae Species Nidulariaceae Eukaryota UNPD*
NPO15871 Parmelia enteromorpha Species Parmeliaceae Eukaryota UNPD*
NPO340 Orixa japonica Species Rutaceae Eukaryota TCM_Taiwan*
NPO24758.2 Angelica dahurica Under-species NA NA Root PMID[9157191]
NPO4143 Coriandri sativi herba NA NA NA TCMSP*
NPO18214 Spilanthes ocymifolia Species Asteraceae Eukaryota UNPD*
NPO15022 Baccharis flabellata Species Asteraceae Eukaryota UNPD*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota TCMID*
NPO25810 Ligusticum sp. Species Apiaceae Eukaryota TCMID*
NPO27746 Taxus mairei Species Taxaceae Eukaryota TCMID*
NPO24038 Casimiroa edulis Species Rutaceae Eukaryota UNPD*
NPO25033 Pyrola calliantha Species Ericaceae Eukaryota UNPD*
NPO340 Orixa japonica Species Rutaceae Eukaryota HerDing*
NPO29752 Cudrania cochinchinensis NA NA NA Roots PMID[11170668]
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO8827 Kniphofia tuckii Species Asphodelaceae Eukaryota UNPD*
NPO22551 Trifolium alexandrium Species Fabaceae Eukaryota UNPD*
NPO2045 Heracleum sp. Species Apiaceae Eukaryota TCMID*
NPO22102 Ammi sp. Species Apiaceae Eukaryota TCMID*
NPO20889 Anastrepha suspensa Species Tephritidae Eukaryota UNPD*
NPO21905 Helianthopsis bishopii NA NA NA UNPD*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota TCM_Taiwan*
NPO18864 Cryptostegia grandiflora Species Apocynaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TM-MC*
NPO15484 Adlumia fungosa Species Papaveraceae Eukaryota UNPD*
NPO22880 Aspergillus caespitosus Species Aspergillaceae Eukaryota UNPD*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota TCMID*
NPO7213 Toddalia asiatica Species Rutaceae Eukaryota TCMID*
NPO4785 Persicaria thunbergii Species Polygonaceae Eukaryota UNPD*
NPO18926 Tephrosia lupinifolia Species Geometridae Eukaryota UNPD*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota HerDing*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota PMID[21625478]
NPO11846 Ulosa spongia Species Dictyonellidae Eukaryota UNPD*
NPO21334 Artemisia dracunculus Species Asteraceae Eukaryota UNPD*
NPO24203 Sphoeroides vermicularis Species Tetraodontidae Eukaryota UNPD*
NPO4146 Seseli meirei Species Apiaceae Eukaryota TCMID*
NPO21839 Cymathere triplicata NA NA NA UNPD*
NPO20012 Wunderlichia mirabilis Species Asteraceae Eukaryota UNPD*
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota HerDing*
NPO4146 Seseli meirei Species Apiaceae Eukaryota HerDing*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota Leaves PMID[12568545]
NPO23822 Polypodium aureum Species Polypodiaceae Eukaryota UNPD*
NPO20764 Euphorbia caducifolia Species Euphorbiaceae Eukaryota UNPD*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota TCMID*
NPO22362 Tylophora flava Species Apocynaceae Eukaryota UNPD*
NPO22490 Limeum pterocarpum Species Limeaceae Eukaryota UNPD*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota HerDing*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota TCM_Taiwan*
NPO21056 Angelica keiskei Species Apiaceae Eukaryota Stems PMID[25891102]
NPO17654 Silene gallica Species Caryophyllaceae Eukaryota UNPD*
NPO23606 Citrus bergamia Species Rutaceae Eukaryota TCMID*
NPO14898 Platypodium elegans Species Fabaceae Eukaryota UNPD*
NPO18895 Eucalyptus exserta Species Myrtaceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCM_Taiwan*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota HerDing*
NPO19953 Lupinus formosus Species Fabaceae Eukaryota UNPD*
NPO24786 Eunicea pinta Species Plexauridae Eukaryota UNPD*
NPO12730 Heracleum maximum Species Apiaceae Eukaryota TCMID*
NPO21079 Actinomadura hibisca Species Thermomonosporaceae Bacteria UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota HerDing*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TCM_Taiwan*
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota UNPD*
NPO19532 Pinus formosana Species Pinaceae Eukaryota UNPD*
NPO5718 Semen zanthoxyli bungeani NA NA NA TCMID*
NPO427 Osteospermum ecklonis Species Asteraceae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota HerDing*
NPO28797 Hypoxylon carneum Species Xylariaceae Eukaryota UNPD*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota TM-MC*
NPO20635 Dalbergia frutescens Species Fabaceae Eukaryota UNPD*
NPO25369 Levisticum officinale Species Apiaceae Eukaryota TCMID*
NPO24280 Helianthus californicus Species Asteraceae Eukaryota UNPD*
NPO23606 Citrus bergamia Species Rutaceae Eukaryota HerDing*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TCM_Taiwan*
NPO13639 Smilax macrophylla Species Staphylinidae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15572 Espeletiopsis purpurascens Species Asteraceae Eukaryota UNPD*
NPO25233 Crocodylus niloticus Species Crocodylidae Eukaryota UNPD*
NPO23253 Silene wallichiana Species Caryophyllaceae Eukaryota UNPD*
NPO24758 Angelica dahurica Species Apiaceae Eukaryota TCM_Taiwan*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota HerDing*
NPO19219 Inga paterno Species Fabaceae Eukaryota UNPD*
NPO21270 Nerita albicilla Species Neritidae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TM-MC*
NPO23746 Tephrosia villosa Species Fabaceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO22104 Trifolium pratense Species Fabaceae Eukaryota UNPD*
NPO25563 Axinella cannabina Species Axinellidae Eukaryota UNPD*
NPO1145 Coussarea paniculata Species Rubiaceae Eukaryota UNPD*
NPO24519 Piper ovatum Species Piperaceae Eukaryota UNPD*
NPO22193 Ophioglossum petiolatum Species Ophioglossaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO19744 Arnica foliosa Species Asteraceae Eukaryota UNPD*
NPO340 Orixa japonica Species Rutaceae Eukaryota TCMID*
NPO17492 Amomum reticulatum Species Zingiberaceae Eukaryota UNPD*
NPO8570 Ficus elastica Species Moraceae Eukaryota UNPD*
NPO6521 Quercus sessilis Species Fagaceae Eukaryota UNPD*
NPO20134 Dicliptera riparia Species Acanthaceae Eukaryota UNPD*
NPO3127 Aralia continentalis Species Araliaceae Eukaryota TM-MC*
NPO28843 Astragalus zahlbruckneri Species Fabaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota TCMID*
NPO6203 Aliivibrio fischeri Species Vibrionaceae Bacteria UNPD*
NPO4771 Tanacetum santolinoides Species Asteraceae Eukaryota UNPD*
NPO20477 Grindelia integrifolia Species Asteraceae Eukaryota UNPD*
NPO24554 Hymenocallis speciosa Species Amaryllidaceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO19653 Isis hippuris Species Isididae Eukaryota UNPD*
NPO24780 Oppopanax chironium NA NA NA TCMID*
NPO21775 Zilla spinosa Species Brassicaceae Eukaryota UNPD*
NPO29626 Foeniculi fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 8500 nM 12873520
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 1800 nM 12873520
NPT453 Cell Line HT-1080 Homo sapiens IC50 = 900 nM 12873520
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 > 100000 nM 9873511
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 23 % 9873511
NPT32 Organism Mus musculus Mus musculus IC50 > 100000 nM 9873511
NPT32 Organism Mus musculus Mus musculus Inhibition = 49 % 9873511
NPT2592 Individual Protein Voltage-gated potassium channel subunit Kv1.1 Homo sapiens Kd > 200000 nM 9804693
NPT3568 Individual Protein Voltage-gated potassium channel subunit Kv1.2 Homo sapiens Kd = 41000 nM 9804693
NPT1213 Individual Protein Voltage-gated potassium channel subunit Kv1.3 Mus musculus Kd = 101000 nM 9804693
NPT3839 Individual Protein Voltage-gated potassium channel subunit Kv1.5 Homo sapiens Kd = 177000 nM 9804693
NPT3840 Individual Protein Voltage-gated potassium channel subunit Kv1.6 Homo sapiens Kd = 187000 nM 9804693
NPT3841 Individual Protein Voltage-gated potassium channel subunit Kv3.1 Homo sapiens Kd = 111000 nM 9804693
NPT165 Cell Line HeLa Homo sapiens IC50 > 20000 nM 10543884
NPT165 Cell Line HeLa Homo sapiens IC50 = 16300 nM 10543884
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000 nM 10543884
NPT116 Cell Line HL-60 Homo sapiens IC50 = 3350 nM 10543884
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 23 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 0 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 75 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 67 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 61 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 40 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 41 % 3069958
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 27 % 3069958
NPT924 Cell Line HSC-2 Homo sapiens CC50 = 720000 nM 11170668
NPT924 Cell Line HSC-2 Homo sapiens Ratio > 1.3 11170668
NPT32 Organism Mus musculus Mus musculus Activity = 108.2 % 9157191
NPT32 Organism Mus musculus Mus musculus Activity = 55.4 % 9157191
NPT2854 Individual Protein Voltage-gated potassium channel subunit Kv1.3 Homo sapiens IC50 = 101000 nM 19056148
NPT2 Others Unspecified IC50 = 1750 nM 19056148
NPT3839 Individual Protein Voltage-gated potassium channel subunit Kv1.5 Homo sapiens Ratio IC50 = 177 19056148
NPT2 Others Unspecified IC50 = 6500 nM 19736019
NPT2 Others Unspecified Ratio = 0.66 19604606
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 31622.8 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 1995.3 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 1258.9 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens Ki = 12000 nM 16248836
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT84 Individual Protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus AC50 = 1489 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 > 500000 nM 22222157
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Inhibition = -6 % 22222157
NPT368 Cell Line SN12C Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 67920.36 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 48977.88 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 89125.09 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 18706.82 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 65463.62 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT1631 Individual Protein Solute carrier organic anion transporter family member 1A5 Rattus norvegicus Activity = 32 % 11823753
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 21.32 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 10.3 % 23062825
NPT852 Organism Phomopsis obscurans Phomopsis obscurans GI = 80 % 12568545
NPT2600 Organism Fusarium solani Fusarium solani IC50 = 27700 nM 12568545
NPT2241 Organism Glomerella acutata Glomerella acutata Activity = 15 % 12568545
NPT1 Others Radical scavenging activity Activity = 14 % 23291118
NPT2 Others Unspecified Activity = 88.9 % 23291118
NPT2 Others Unspecified Activity = 91.7 % 23291118
NPT2 Others Unspecified Activity = 99.4 % 23291118
NPT2 Others Unspecified Activity = 102.4 % 23291118
NPT2 Others Unspecified Activity = 104.9 % 23291118
NPT35 Others n.a. Inhibition = 49 % 23291118
NPT2 Others Unspecified IC50 = 13800 nM 23517722
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 13800 nM 23517722
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 93.84 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 97.44 % 23571415
NPT2 Others Unspecified Potency 19496.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 44636.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 50058.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48978.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9905.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2816.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17615.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2169 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15837.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8708.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15699.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2217.6 nM PubChem BioAssay data set
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 2.53 ug/ml 25891102
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 98.36 % 25891102
NPT2 Others Unspecified Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49646.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set

  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 NPC74539 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 NPC304443
0.9859 High Similarity NPC88445
0.979 High Similarity NPC191104
0.9716 High Similarity NPC246903
0.9577 High Similarity NPC208584
0.9574 High Similarity NPC166858
0.9574 High Similarity NPC51146
0.9574 High Similarity NPC313036
0.9524 High Similarity NPC278010
0.9524 High Similarity NPC250769
0.9524 High Similarity NPC295608
0.9517 High Similarity NPC155882
0.9514 High Similarity NPC266743
0.951 High Similarity NPC190572
0.9396 High Similarity NPC269495
0.9396 High Similarity NPC270044
0.9366 High Similarity NPC254010
0.9362 High Similarity NPC262635
0.9324 High Similarity NPC131725
0.9272 High Similarity NPC49009
0.9272 High Similarity NPC303210
0.9272 High Similarity NPC169
0.9272 High Similarity NPC239270
0.9272 High Similarity NPC95472
0.9252 High Similarity NPC148423
0.9252 High Similarity NPC135303
0.9211 High Similarity NPC14822
0.9178 High Similarity NPC198427
0.9161 High Similarity NPC470856
0.915 High Similarity NPC78612
0.915 High Similarity NPC234536
0.9128 High Similarity NPC130015
0.9128 High Similarity NPC38361
0.9116 High Similarity NPC306788
0.9091 High Similarity NPC472515
0.9091 High Similarity NPC179464
0.9079 High Similarity NPC33320
0.9067 High Similarity NPC41719
0.906 High Similarity NPC98028
0.906 High Similarity NPC472407
0.9021 High Similarity NPC36414
0.902 High Similarity NPC243509
0.9014 High Similarity NPC472516
0.9007 High Similarity NPC233776
0.9 High Similarity NPC263676
0.8993 High Similarity NPC472406
0.8974 High Similarity NPC210460
0.8974 High Similarity NPC193881
0.8974 High Similarity NPC155264
0.8974 High Similarity NPC67450
0.8961 High Similarity NPC216092
0.8958 High Similarity NPC136095
0.8951 High Similarity NPC253616
0.8881 High Similarity NPC29638
0.8881 High Similarity NPC268081
0.8857 High Similarity NPC472517
0.8844 High Similarity NPC17262
0.8824 High Similarity NPC247677
0.8824 High Similarity NPC160015
0.8819 High Similarity NPC103001
0.8808 High Similarity NPC116604
0.8805 High Similarity NPC144288
0.8805 High Similarity NPC281835
0.88 High Similarity NPC37226
0.88 High Similarity NPC226644
0.8794 High Similarity NPC175159
0.879 High Similarity NPC173149
0.879 High Similarity NPC179015
0.8774 High Similarity NPC260296
0.8774 High Similarity NPC115432
0.8766 High Similarity NPC296957
0.8766 High Similarity NPC260902
0.875 High Similarity NPC253872
0.875 High Similarity NPC67654
0.8718 High Similarity NPC264293
0.871 High Similarity NPC476349
0.871 High Similarity NPC476350
0.871 High Similarity NPC244750
0.8701 High Similarity NPC470625
0.8699 High Similarity NPC473209
0.8696 High Similarity NPC233956
0.8696 High Similarity NPC72455
0.8693 High Similarity NPC122365
0.8693 High Similarity NPC1477
0.8693 High Similarity NPC213608
0.8684 High Similarity NPC290671
0.8684 High Similarity NPC156244
0.8684 High Similarity NPC170169
0.8675 High Similarity NPC317492
0.8675 High Similarity NPC296030
0.8675 High Similarity NPC39929
0.8671 High Similarity NPC247743
0.8667 High Similarity NPC130581
0.8667 High Similarity NPC12148
0.8662 High Similarity NPC193998
0.8658 High Similarity NPC171656
0.8649 High Similarity NPC53192
0.8645 High Similarity NPC65504
0.8642 High Similarity NPC224165
0.8642 High Similarity NPC53917
0.8636 High Similarity NPC473193
0.8636 High Similarity NPC198490
0.8636 High Similarity NPC474542
0.8627 High Similarity NPC5871
0.8627 High Similarity NPC41326
0.8621 High Similarity NPC254741
0.8618 High Similarity NPC78335
0.8618 High Similarity NPC230713
0.8616 High Similarity NPC323137
0.8611 High Similarity NPC229128
0.8609 High Similarity NPC168085
0.8609 High Similarity NPC135325
0.8608 High Similarity NPC15819
0.8608 High Similarity NPC155640
0.8608 High Similarity NPC65846
0.8601 High Similarity NPC54503
0.8601 High Similarity NPC55147
0.8601 High Similarity NPC229646
0.86 High Similarity NPC210826
0.86 High Similarity NPC300267
0.86 High Similarity NPC51641
0.8591 High Similarity NPC225884
0.8591 High Similarity NPC302181
0.8591 High Similarity NPC184702
0.8589 High Similarity NPC325176
0.8589 High Similarity NPC107244
0.8581 High Similarity NPC297985
0.8581 High Similarity NPC19860
0.8571 High Similarity NPC472462
0.8571 High Similarity NPC51404
0.8571 High Similarity NPC137009
0.8571 High Similarity NPC183874
0.8562 High Similarity NPC332594
0.8562 High Similarity NPC38153
0.8562 High Similarity NPC320789
0.8553 High Similarity NPC221868
0.8553 High Similarity NPC37208
0.8553 High Similarity NPC259007
0.8553 High Similarity NPC164299
0.8553 High Similarity NPC178202
0.8553 High Similarity NPC204088
0.8553 High Similarity NPC329215
0.8543 High Similarity NPC17816
0.8542 High Similarity NPC292998
0.8533 High Similarity NPC230943
0.8533 High Similarity NPC155144
0.8533 High Similarity NPC98926
0.8533 High Similarity NPC294365
0.8533 High Similarity NPC179970
0.8523 High Similarity NPC162476
0.8516 High Similarity NPC279218
0.8516 High Similarity NPC148938
0.8516 High Similarity NPC108937
0.8514 High Similarity NPC28337
0.8509 High Similarity NPC41853
0.8506 High Similarity NPC271681
0.8497 Intermediate Similarity NPC474735
0.8493 Intermediate Similarity NPC161196
0.8487 Intermediate Similarity NPC272194
0.8483 Intermediate Similarity NPC66705
0.8481 Intermediate Similarity NPC304387
0.8477 Intermediate Similarity NPC470322
0.8477 Intermediate Similarity NPC154217
0.8477 Intermediate Similarity NPC473927
0.8472 Intermediate Similarity NPC182428
0.8471 Intermediate Similarity NPC40583
0.8467 Intermediate Similarity NPC76657
0.8467 Intermediate Similarity NPC470932
0.8462 Intermediate Similarity NPC321372
0.8462 Intermediate Similarity NPC475797
0.8462 Intermediate Similarity NPC474609
0.8462 Intermediate Similarity NPC13879
0.8462 Intermediate Similarity NPC469936
0.8462 Intermediate Similarity NPC78554
0.8462 Intermediate Similarity NPC474738
0.8462 Intermediate Similarity NPC129053
0.8462 Intermediate Similarity NPC109967
0.8457 Intermediate Similarity NPC120220
0.8456 Intermediate Similarity NPC22467
0.8452 Intermediate Similarity NPC186507
0.8452 Intermediate Similarity NPC473194
0.8452 Intermediate Similarity NPC235333
0.8447 Intermediate Similarity NPC167479
0.8446 Intermediate Similarity NPC473076
0.8446 Intermediate Similarity NPC37206
0.8446 Intermediate Similarity NPC11566
0.8442 Intermediate Similarity NPC115324
0.8442 Intermediate Similarity NPC318424
0.844 Intermediate Similarity NPC49852
0.844 Intermediate Similarity NPC475496
0.8438 Intermediate Similarity NPC136641
0.8438 Intermediate Similarity NPC38914
0.8435 Intermediate Similarity NPC259685
0.8428 Intermediate Similarity NPC219861
0.8425 Intermediate Similarity NPC60667
0.8425 Intermediate Similarity NPC46869
0.8421 Intermediate Similarity NPC282335
0.8421 Intermediate Similarity NPC471285
0.8421 Intermediate Similarity NPC218300
0.8418 Intermediate Similarity NPC19554

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74539 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
1.0 High Similarity NPD920 Approved
0.9716 High Similarity NPD642 Clinical (unspecified phase)
0.9574 High Similarity NPD643 Clinical (unspecified phase)
0.9362 High Similarity NPD1243 Approved
0.9079 High Similarity NPD919 Approved
0.8718 High Similarity NPD1247 Approved
0.8493 Intermediate Similarity NPD2796 Approved
0.8291 Intermediate Similarity NPD3749 Approved
0.8289 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD6801 Discontinued
0.8224 Intermediate Similarity NPD6799 Approved
0.8217 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8217 Intermediate Similarity NPD7819 Suspended
0.8205 Intermediate Similarity NPD7411 Suspended
0.8176 Intermediate Similarity NPD1510 Phase 2
0.8133 Intermediate Similarity NPD1549 Phase 2
0.8121 Intermediate Similarity NPD1551 Phase 2
0.8079 Intermediate Similarity NPD2800 Approved
0.8075 Intermediate Similarity NPD5494 Approved
0.8067 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD7075 Discontinued
0.8054 Intermediate Similarity NPD3748 Approved
0.8027 Intermediate Similarity NPD1240 Approved
0.8025 Intermediate Similarity NPD6599 Discontinued
0.8024 Intermediate Similarity NPD6559 Discontinued
0.7937 Intermediate Similarity NPD3817 Phase 2
0.7935 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD2532 Approved
0.7935 Intermediate Similarity NPD2533 Approved
0.7935 Intermediate Similarity NPD2534 Approved
0.7919 Intermediate Similarity NPD1607 Approved
0.7911 Intermediate Similarity NPD4380 Phase 2
0.7895 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD2313 Discontinued
0.7888 Intermediate Similarity NPD7768 Phase 2
0.7879 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD6832 Phase 2
0.7875 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD2344 Approved
0.7818 Intermediate Similarity NPD3926 Phase 2
0.7815 Intermediate Similarity NPD2799 Discontinued
0.7792 Intermediate Similarity NPD3750 Approved
0.7792 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3882 Suspended
0.777 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD1511 Approved
0.774 Intermediate Similarity NPD1019 Discontinued
0.7738 Intermediate Similarity NPD7286 Phase 2
0.7733 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD5401 Approved
0.7702 Intermediate Similarity NPD1934 Approved
0.7679 Intermediate Similarity NPD3818 Discontinued
0.7658 Intermediate Similarity NPD1512 Approved
0.7654 Intermediate Similarity NPD2801 Approved
0.7651 Intermediate Similarity NPD1296 Phase 2
0.7647 Intermediate Similarity NPD5953 Discontinued
0.7647 Intermediate Similarity NPD2935 Discontinued
0.7628 Intermediate Similarity NPD2309 Approved
0.7625 Intermediate Similarity NPD3226 Approved
0.761 Intermediate Similarity NPD5403 Approved
0.7607 Intermediate Similarity NPD5402 Approved
0.7597 Intermediate Similarity NPD1471 Phase 3
0.759 Intermediate Similarity NPD6959 Discontinued
0.7586 Intermediate Similarity NPD9717 Approved
0.7551 Intermediate Similarity NPD1203 Approved
0.7545 Intermediate Similarity NPD6808 Phase 2
0.7545 Intermediate Similarity NPD6232 Discontinued
0.7529 Intermediate Similarity NPD5844 Phase 1
0.7529 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7473 Discontinued
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD2346 Discontinued
0.7455 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD1465 Phase 2
0.7434 Intermediate Similarity NPD4307 Phase 2
0.7432 Intermediate Similarity NPD3266 Approved
0.7432 Intermediate Similarity NPD3267 Approved
0.7397 Intermediate Similarity NPD422 Phase 1
0.7389 Intermediate Similarity NPD2654 Approved
0.7386 Intermediate Similarity NPD447 Suspended
0.7378 Intermediate Similarity NPD6280 Approved
0.7378 Intermediate Similarity NPD6279 Approved
0.7365 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4628 Phase 3
0.7338 Intermediate Similarity NPD6651 Approved
0.7337 Intermediate Similarity NPD5710 Approved
0.7337 Intermediate Similarity NPD7229 Phase 3
0.7337 Intermediate Similarity NPD5711 Approved
0.7303 Intermediate Similarity NPD4287 Approved
0.7288 Intermediate Similarity NPD8434 Phase 2
0.7285 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD1729 Discontinued
0.7273 Intermediate Similarity NPD230 Phase 1
0.7273 Intermediate Similarity NPD1933 Approved
0.726 Intermediate Similarity NPD17 Approved
0.7257 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1241 Discontinued
0.7251 Intermediate Similarity NPD6166 Phase 2
0.7251 Intermediate Similarity NPD2403 Approved
0.7251 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7033 Discontinued
0.7244 Intermediate Similarity NPD4308 Phase 3
0.7225 Intermediate Similarity NPD7054 Approved
0.7212 Intermediate Similarity NPD5889 Approved
0.7212 Intermediate Similarity NPD5890 Approved
0.719 Intermediate Similarity NPD411 Approved
0.719 Intermediate Similarity NPD3268 Approved
0.7184 Intermediate Similarity NPD7472 Approved
0.7184 Intermediate Similarity NPD7074 Phase 3
0.7161 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD5124 Phase 1
0.7152 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD6797 Phase 2
0.7134 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD9545 Approved
0.7114 Intermediate Similarity NPD1608 Approved
0.7108 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD7251 Discontinued
0.7097 Intermediate Similarity NPD943 Approved
0.7086 Intermediate Similarity NPD2797 Approved
0.7083 Intermediate Similarity NPD4288 Approved
0.7083 Intermediate Similarity NPD2296 Approved
0.7078 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7808 Phase 3
0.7052 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6585 Discontinued
0.7045 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5760 Phase 2
0.7024 Intermediate Similarity NPD5761 Phase 2
0.702 Intermediate Similarity NPD3225 Approved
0.7019 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3972 Approved
0.6994 Remote Similarity NPD5242 Approved
0.6986 Remote Similarity NPD9493 Approved
0.6975 Remote Similarity NPD3887 Approved
0.6974 Remote Similarity NPD1164 Approved
0.6973 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3764 Approved
0.6957 Remote Similarity NPD1652 Phase 2
0.6951 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6004 Phase 3
0.6937 Remote Similarity NPD2353 Approved
0.6937 Remote Similarity NPD6002 Phase 3
0.6937 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6937 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6005 Phase 3
0.6937 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1281 Approved
0.6919 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6919 Remote Similarity NPD4361 Phase 2
0.6908 Remote Similarity NPD1876 Approved
0.6892 Remote Similarity NPD1548 Phase 1
0.6886 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7458 Discontinued
0.6882 Remote Similarity NPD5353 Approved
0.6879 Remote Similarity NPD7199 Phase 2
0.6879 Remote Similarity NPD2979 Phase 3
0.6865 Remote Similarity NPD4360 Phase 2
0.6865 Remote Similarity NPD4363 Phase 3
0.6859 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6355 Discontinued
0.6831 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6821 Remote Similarity NPD1611 Approved
0.6821 Remote Similarity NPD1610 Phase 2
0.6816 Remote Similarity NPD6104 Discontinued
0.681 Remote Similarity NPD7003 Approved
0.6809 Remote Similarity NPD9697 Approved
0.6807 Remote Similarity NPD6273 Approved
0.6805 Remote Similarity NPD6386 Approved
0.6805 Remote Similarity NPD6385 Approved
0.68 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1283 Approved
0.679 Remote Similarity NPD2424 Discontinued
0.6788 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7390 Discontinued
0.6784 Remote Similarity NPD5616 Clinical (unspecified phase)
0.678 Remote Similarity NPD3751 Discontinued
0.6772 Remote Similarity NPD3142 Approved
0.6772 Remote Similarity NPD3140 Approved
0.677 Remote Similarity NPD4476 Approved
0.677 Remote Similarity NPD4477 Approved
0.6768 Remote Similarity NPD2354 Approved
0.6765 Remote Similarity NPD37 Approved
0.6752 Remote Similarity NPD6798 Discontinued
0.6744 Remote Similarity NPD4967 Phase 2
0.6744 Remote Similarity NPD4965 Approved
0.6744 Remote Similarity NPD4966 Approved
0.674 Remote Similarity NPD8313 Approved
0.674 Remote Similarity NPD8312 Approved
0.6733 Remote Similarity NPD5691 Approved

Structure

External Identifiers

PubChem CID   2355
ChEMBL   CHEMBL24171
ZINC  

Physicochemical Properties

Molecular Weight:  216.04
ALogP:  0.0641
MLogP:  2.34
XLogP:  1.69
# Rotatable Bonds:  2
Polar Surface Area:  48.67
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

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