Natural Product: NPC71853

Natural Product ID:  NPC71853
Common Name:   Estragole
IUPAC Name:   1-methoxy-4-prop-2-enylbenzene
Synonyms:   Esteragol; Estragol; Estragole
Molecular Formula:   C10H12O
Standard InCHIKey:  ZFMSMUAANRJZFM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
Canonical SMILES:  COc1ccc(cc1)CC=C
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
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO3083 Ferula assafoetida Species Apiaceae Eukaryota TM-MC*
NPO12940 Briareum stechei Species Briareidae Eukaryota UNPD*
NPO7977 Fructus foeniculi NA NA NA TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota TCMID*
NPO849 Euonymus tingens Species Celastraceae Eukaryota UNPD*
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota UNPD*
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota UNPD*
NPO26464 Macaranga indica Species Euphorbiaceae Eukaryota UNPD*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO3780 Ferula fukanensis Species Apiaceae Eukaryota TM-MC*
NPO9221 Trachelospermum lucidum Species Apocynaceae Eukaryota UNPD*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TCMID*
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota TCMID*
NPO26279 Premna schimperi Species Lamiaceae Eukaryota UNPD*
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota UNPD*
NPO2669 Bowdichia virgilioides Species Fabaceae Eukaryota UNPD*
NPO9590 Xanthoria aureola Species Teloschistaceae Eukaryota UNPD*
NPO29657 Zanthoxyli pericarpium NA NA NA TCMSP*
NPO3412 Ferula sinkiangensis Species Apiaceae Eukaryota TM-MC*
NPO4895 Coleus esquirolii Species Lamiaceae Eukaryota UNPD*
NPO2646 Moschus moschiferus Species Moschidae Eukaryota TCMID*
NPO1242 Balanops australiana Species Balanopaceae Eukaryota UNPD*
NPO2905 Tinospora hainanensis Species Menispermaceae Eukaryota UNPD*
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota UNPD*
NPO8642 Lithospermum officinale Species Boraginaceae Eukaryota UNPD*
NPO12068 Firmiana simplex Species Malvaceae Eukaryota UNPD*
NPO9454 Piperis fructus NA NA NA TCMSP*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota UNPD*
NPO463 Moschus berezovskii Species Moschidae Eukaryota TCMID*
NPO3341 Leishmania major Species Trypanosomatidae Eukaryota UNPD*
NPO9476 Metapenaeus bennettae Species Penaeidae Eukaryota UNPD*
NPO17593.1 Pinus sylvestris var. hamata Varieties Pinaceae Eukaryota UNPD*
NPO14260 Euphorbia kansui Species Euphorbiaceae Eukaryota UNPD*
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota UNPD*
NPO29651 Sennae folium NA NA NA TCMSP*
NPO21387 Forsythia suspensa Species Oleaceae Eukaryota TM-MC*
NPO14004 Merendera jolantae Species Colchicaceae Eukaryota UNPD*
NPO12246 Moschus chrysogaster Species Moschidae Eukaryota TCMID*
NPO1406 Centaurea zuccariniana Species Asteraceae Eukaryota UNPD*
NPO14793 Erica glauca Species Ericaceae Eukaryota UNPD*
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota UNPD*
NPO5852 Litsea glutinosa Species Lauraceae Eukaryota UNPD*
NPO8140 Nauclea parva Species Rubiaceae Eukaryota UNPD*
NPO5365 Tetradenia glauca Species Lamiaceae Eukaryota UNPD*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO19805 Forsythia viridissima Species Oleaceae Eukaryota TM-MC*
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota UNPD*
NPO29459 Folium pogostemonis NA NA NA TCMID*
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota UNPD*
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota UNPD*
NPO5752 Pholas dactylus Species Pholadidae Eukaryota UNPD*
NPO10310 Cutaneotrichosporon cutaneum Species Trichosporonaceae Eukaryota UNPD*
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota UNPD*
NPO25673 Semen euphorbiae NA NA NA TCMSP*
NPO29384 Glycyrrhiza glabra Species Fabaceae Eukaryota TM-MC*
NPO8962 Cousinia canescens Species Asteraceae Eukaryota UNPD*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota TCMID*
NPO14401 Potebniamyces balsamicola Species Phacidiaceae Eukaryota UNPD*
NPO3939 Ardisia arborescens Species Primulaceae Eukaryota UNPD*
NPO8058 Pluchea odorata Species Asteraceae Eukaryota UNPD*
NPO9499 Epimrdii herba NA NA NA TCMSP*
NPO1698 Glycyrrhiza inflata Species Fabaceae Eukaryota TM-MC*
NPO9995 Cynara humilis Species Asteraceae Eukaryota UNPD*
NPO29632 Cervus nippon Species Cervidae Eukaryota TCMID*
NPO6851 Aplysilla pallida Species Darwinellidae Eukaryota UNPD*
NPO21689 Titanotrichum oldhamii Species Gesneriaceae Eukaryota UNPD*
NPO22956 Cervus nippon Species Cervidae Eukaryota HerDing*
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota UNPD*
NPO3724 Amomum neoaurantiacum Species Zingiberaceae Eukaryota TCMSP*
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota TM-MC*
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota UNPD*
NPO19783 Cervus elaphus Species Cervidae Eukaryota TCMID*
NPO7027 Metapenaeus macleayi Species Penaeidae Eukaryota UNPD*
NPO16266 Didymium bahiense Species Didymiaceae Eukaryota UNPD*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TCM_Taiwan*
NPO15558 Leucas neufliseana Species Lamiaceae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMSP*
NPO4391 Hypericum perforatum Species Hypericaceae Eukaryota TM-MC*
NPO16119 Eucalyptus hybrid Species Myrtaceae Eukaryota UNPD*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO13274 Illicium verum Species Schisandraceae Eukaryota UNPD*
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TCM_Taiwan*
NPO10675 Asparagus acutifolius Species Asparagaceae Eukaryota UNPD*
NPO29374 Anisi stellati fructus NA NA NA TCMSP*
NPO11871 Illicium difengpi Species Schisandraceae Eukaryota TM-MC*
NPO6320 Echinosophora koreensis Species Fabaceae Eukaryota UNPD*
NPO1983 Fructus anisi stellati NA NA NA TCMID*
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota UNPD*
NPO13438 Centaurea calcitrapa Species Asteraceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota HerDing*
NPO7841 Solanum transcaucasicum Species Solanaceae Eukaryota UNPD*
NPO20120 Asari radix et rhizoma NA NA NA TCMSP*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO16626 Leucetta microrhaphis Species Leucettidae Eukaryota UNPD*
NPO14736 Camphora NA NA NA TCMID*
NPO3741 Pagrus major Species Sparidae Eukaryota UNPD*
NPO7909 Parmelia vittata Species Parmeliaceae Eukaryota UNPD*
NPO6478 Tubifera ferruginosa Species Reticulariaceae Eukaryota UNPD*
NPO14126 Garcinia oligantha Species Clusiaceae Eukaryota UNPD*
NPO29459 Folium pogostemonis NA NA NA HerDing*
NPO6519 Calocera viscosa Species Dacrymycetaceae Eukaryota UNPD*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TM-MC*
NPO1682 Rhytidoponera metallica Species Formicidae Eukaryota UNPD*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO3463 Wrightia tinctoria Species Apocynaceae Eukaryota UNPD*
NPO2199 Tecoma pentaphylla Species Bignoniaceae Eukaryota UNPD*
NPO2015 Udotea petiolata Species Udoteaceae Eukaryota UNPD*
NPO25880 Sarcococca coriacea Species Buxaceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota HerDing*
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota UNPD*
NPO25682 Acorus calamus Species Acoraceae Eukaryota TM-MC*
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota TM-MC*
NPO1467 Wedelia prostrata Species Asteraceae Eukaryota UNPD*
NPO3392 Agastache rugosus Species Lamiaceae Eukaryota TCMID*
NPO24089 Alcea rosea Species Malvaceae Eukaryota UNPD*
NPO25421 Stemodia viscosa Species Plantaginaceae Eukaryota UNPD*
NPO31003 Moschus sifanicus Species Moschidae Eukaryota HerDing*
NPO14465 Ramalina terebrata Species Ramalinaceae Eukaryota UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO25483 Croton cortesianus Species Euphorbiaceae Eukaryota UNPD*
NPO4802 Scrophularia ningpoensis Species Scrophulariaceae Eukaryota TCMID*
NPO24568 Spongia zimocca Species Spongiidae Eukaryota UNPD*
NPO6732 Fusarium nygamai Species Nectriaceae Eukaryota UNPD*
NPO31248 Fructus anisi NA NA NA HerDing*
NPO9087 Sarcococca vagans Species Buxaceae Eukaryota UNPD*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO6894 Elegia deusta Species Restionaceae Eukaryota UNPD*
NPO10079 Chloropyron maritimum Species Orobanchaceae Eukaryota UNPD*
NPO24083.1 Melanelixia fuliginosa subsp. glabratula Subspecies Parmeliaceae Eukaryota UNPD*
NPO1255 Waitzia acuminata Species Asteraceae Eukaryota UNPD*
NPO3392 Agastache rugosus Species Lamiaceae Eukaryota HerDing*
NPO12042 Folium agastachis NA NA NA HerDing*
NPO26351 Agastache rugosa Species Lamiaceae Eukaryota TM-MC*
NPO12693 Mesembryanthemum tortuosum Species Aizoaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota PMID[24617303]
NPO12766 Oleum pogostemonis NA NA NA TCMID*
NPO20059.1 Lactobacillus delbrueckii subsp. bulgaricus Subspecies Lactobacillaceae Bacteria UNPD*
NPO5911 Anchusa officinalis Species Boraginaceae Eukaryota UNPD*
NPO4802 Scrophularia ningpoensis Species Scrophulariaceae Eukaryota HerDing*
NPO12468.1 Asarum heterotropoides var. mandshuricum Varieties Aristolochiaceae Eukaryota HerDing*
NPO12468 Asarum heterotropoides Species Aristolochiaceae Eukaryota TM-MC*
NPO21485 Polygala sibirica Species Polygalaceae Eukaryota TM-MC*
NPO15193 Cacia concinna NA NA NA UNPD*
NPO15881 Pericarpium zanthoxyli NA NA NA TCMID*
NPO12970 Aspergillus fischeri Species Aspergillaceae Eukaryota UNPD*
NPO4120 Ulmus americana Species Ulmaceae Eukaryota UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota HerDing*
NPO12468.2 Asarum heterotropoides f. schm. var. mandshuricum (maxim.) kitag. Varieties Aristolochiaceae Eukaryota TCM_Taiwan*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TM-MC*
NPO27260 Polygala tenuifolia Species Polygalaceae Eukaryota TM-MC*
NPO26582 Erigeron sumatrensis Species Asteraceae Eukaryota UNPD*
NPO18379 Satureja atropatana Species Lamiaceae Eukaryota UNPD*
NPO4037 Veronica anagallis Species Plantaginaceae Eukaryota UNPD*
NPO558 Limnophila rugosa Species Limoniidae Eukaryota TCM_Taiwan*
NPO12766 Oleum pogostemonis NA NA NA HerDing*
NPO4659 Asiasarum heterotropoides NA NA NA TM-MC*
NPO26799 Vitis heyneana Species Vitaceae Eukaryota UNPD*
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota UNPD*
NPO10551 Acanthopanax ricinifolius NA NA NA UNPD*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota UNPD*
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota UNPD*
NPO2892 Wikstroemia chamaedaphne Species Thymelaeaceae Eukaryota UNPD*
NPO558 Limnophila rugosa Species Limoniidae Eukaryota HerDing*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TCM_Taiwan*
NPO29078 Asiasarum sieboldii NA NA NA TM-MC*
NPO12935 Thymus quinquecostatus Species Lamiaceae Eukaryota TM-MC*
NPO7847 Senecio densiflorus Species Asteraceae Eukaryota UNPD*
NPO2408 Millettia laurentii Species Fabaceae Eukaryota UNPD*
NPO9962 Pocillopora damicornis Species Pocilloporidae Eukaryota UNPD*
NPO7028 Sida veronicaefolia Species Malvaceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TCM_Taiwan*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota TCM_Taiwan*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO19472 Thymus vulgaris Species Lamiaceae Eukaryota TM-MC*
NPO4844 Acacia simplicifolia Species Fabaceae Eukaryota UNPD*
NPO13970 Caryopteris mongholica Species Lamiaceae Eukaryota UNPD*
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota UNPD*
NPO1070 Matricaria suffruticosa Species Asteraceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota HerDing*
NPO15394 Angelica decursiva Species Apiaceae Eukaryota HerDing*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO13989 Uncaria macrophylla Species Rubiaceae Eukaryota TM-MC*
NPO8022 Consolida hohenackeri Species Ranunculaceae Eukaryota UNPD*
NPO10773 Dalbergia rubiginosa Species Fabaceae Eukaryota UNPD*
NPO4564 Anguilla japonica Species Anguillidae Eukaryota UNPD*
NPO5604 Chelonia japonica Species Cheloniidae Eukaryota UNPD*
NPO7977 Fructus foeniculi NA NA NA HerDing*
NPO15881 Pericarpium zanthoxyli NA NA NA HerDing*
NPO17295 Chrysanthemum zawadskii Species Asteraceae Eukaryota TM-MC*
NPO14112 Uncaria rhynchophylla Species Rubiaceae Eukaryota TM-MC*
NPO15902 Iris spuria Species Iridaceae Eukaryota UNPD*
NPO10264 Platonia insignis Species Clusiaceae Eukaryota UNPD*
NPO8443 Uvaria microcarpa Species Annonaceae Eukaryota UNPD*
NPO6556 Garcinia intermedia Species Clusiaceae Eukaryota UNPD*
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota UNPD*
NPO8896 Anacardium occidentale Species Anacardiaceae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota TCM_Taiwan*
NPO24479 Phaseolus atropurpureus Species Fabaceae Eukaryota UNPD*
NPO29352 Uncaria sinensis Species Rubiaceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO6231 Cortinarius odoratus Species Cortinariaceae Eukaryota UNPD*
NPO8253 Alexandrium hiranoi Species Gonyaulacaceae Eukaryota UNPD*
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota UNPD*
NPO20800 Pholiota nameko Species Strophariaceae Eukaryota UNPD*
NPO12181 Albizia julibrissin Species Fabaceae Eukaryota UNPD*
NPO7650 Salvia munzii Species Lamiaceae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota HerDing*
NPO9829 Arnica chamissonis Species Asteraceae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO12042 Folium agastachis NA NA NA TCMID*
NPO6801 Bellium bellidioides Species Asteraceae Eukaryota UNPD*
NPO745 Rubus trifidus Species Rosaceae Eukaryota UNPD*
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota UNPD*
NPO5531 Protoceratium reticulatum Species Gonyaulacaceae Eukaryota UNPD*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota HerDing*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TCMID*
NPO24299 Litsea laurifolia Species Lauraceae Eukaryota UNPD*
NPO16552 Aromia moschata Species Cerambycidae Eukaryota UNPD*
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota UNPD*
NPO6937 Xylaria hypoxylon Species Xylariaceae Eukaryota UNPD*
NPO29562 Mume flos NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19167006]
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota UNPD*
NPO12468.1 Asarum heterotropoides var. mandshuricum Varieties Aristolochiaceae Eukaryota TCMID*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TCMID*
NPO6457 Pinus strobus Species Pinaceae Eukaryota UNPD*
NPO4523 Reaumuria hirtella Species Tamaricaceae Eukaryota UNPD*
NPO13368 Monomorium delagoense Species Formicidae Eukaryota UNPD*
NPO2999 Coprinellus flocculosus Species Psathyrellaceae Eukaryota UNPD*
NPO29571 Magnoliae flos NA NA NA TCMSP*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO16137 Mappia foetida Species Icacinaceae Eukaryota UNPD*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TCMID*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota TCMID*
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota UNPD*
NPO9733 Spongia bilamellata Species Spongiidae Eukaryota UNPD*
NPO777 Kielmeyera coriacea Species Calophyllaceae Eukaryota UNPD*
NPO16877 Aconitum episcopale Species Ranunculaceae Eukaryota UNPD*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota HerDing*
NPO9947 Teucrium scorodonia Species Lamiaceae Eukaryota UNPD*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TCMID*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO6378 Wilcoxia viperina NA NA NA UNPD*
NPO295 Kokoona reflexa Species Celastraceae Eukaryota UNPD*
NPO18993 Araiostegiella perdurans Species Davalliaceae Eukaryota UNPD*
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota UNPD*
NPO29626 Foeniculi fructus NA NA NA TCMSP*
NPO26898 Jacobaea vulgaris Species Asteraceae Eukaryota UNPD*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMID*
NPO558 Limnophila rugosa Species Limoniidae Eukaryota TCMID*
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota UNPD*
NPO13926 Protaetia cuprea Species Scarabaeidae Eukaryota UNPD*
NPO10128 Aplysia punctata Species Aplysiidae Eukaryota UNPD*
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota UNPD*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1348 Organism Psoroptes cuniculi Psoroptes cuniculi Activity = 100 % 7595592
NPT1348 Organism Psoroptes cuniculi Psoroptes cuniculi Activity = 63.3 % 7595592
NPT1348 Organism Psoroptes cuniculi Psoroptes cuniculi Activity = 0 % 7595592
NPT1348 Organism Psoroptes cuniculi Psoroptes cuniculi Activity = 5 % 7595592
NPT1348 Organism Psoroptes cuniculi Psoroptes cuniculi Activity = 6.7 % 7595592
NPT2 Others Unspecified IC50 = 64100 nM 19157886
NPT2 Others Unspecified IC50 = 64100 nM 19251422
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens Potency = 11220.2 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 20 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 631 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 100 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Ki = 150000 nM 10.1016/j.indcrop.2009.11.005
NPT2557 Organism Dermatophagoides pteronyssinus Dermatophagoides pteronyssinus Ratio = 0.2 15137830
NPT2525 Organism Dermatophagoides farinae Dermatophagoides farinae Ratio = 0.2 15137830
NPT2557 Organism Dermatophagoides pteronyssinus Dermatophagoides pteronyssinus LD50 = 389.9 mg/m2 15137830
NPT2525 Organism Dermatophagoides farinae Dermatophagoides farinae LD50 = 413.3 mg/m2 15137830
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3662.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2238.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42315.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3890 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21207.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6309.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74616.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1488.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3981.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26475.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34669.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 52824.7 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 47443.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 66502.4 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Activity = 102.8 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 108.2 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 109.6 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 116.8 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 104 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 100.9 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 94.8 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 106.3 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 85 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 93.3 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 92.7 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 90.2 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 91.7 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 90.9 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 13.2 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 12.3 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 15.9 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 4.9 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 3.7 % 24617303
NPT65 Cell Line HepG2 Homo sapiens Activity = 3.4 % 24617303
NPT2 Others Unspecified Potency 61652.4 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 NPC71853 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
0.9884 High Similarity NPC321956
0.9882 High Similarity NPC8002
0.9882 High Similarity NPC177844
0.9882 High Similarity NPC259134
0.9882 High Similarity NPC99886
0.9438 High Similarity NPC471581
0.9239 High Similarity NPC100870
0.913 High Similarity NPC175298
0.9043 High Similarity NPC300166
0.9032 High Similarity NPC471576
0.8947 High Similarity NPC298224
0.8936 High Similarity NPC13755
0.8925 High Similarity NPC470161
0.8854 High Similarity NPC292792
0.8854 High Similarity NPC241224
0.8854 High Similarity NPC38079
0.8854 High Similarity NPC108875
0.8854 High Similarity NPC38209
0.8842 High Similarity NPC310905
0.8842 High Similarity NPC12714
0.8842 High Similarity NPC51633
0.8842 High Similarity NPC307425
0.8763 High Similarity NPC470393
0.8763 High Similarity NPC42383
0.8763 High Similarity NPC473855
0.875 High Similarity NPC179686
0.875 High Similarity NPC305205
0.875 High Similarity NPC192596
0.8737 High Similarity NPC107101
0.8723 High Similarity NPC95755
0.8706 High Similarity NPC124576
0.8673 High Similarity NPC1065
0.8673 High Similarity NPC113457
0.866 High Similarity NPC12987
0.866 High Similarity NPC109637
0.866 High Similarity NPC474603
0.866 High Similarity NPC2518
0.866 High Similarity NPC283546
0.8586 High Similarity NPC251306
0.8571 High Similarity NPC238115
0.8571 High Similarity NPC128730
0.8557 High Similarity NPC12870
0.8557 High Similarity NPC24327
0.85 High Similarity NPC97811
0.85 High Similarity NPC201959
0.85 High Similarity NPC75440
0.8485 Intermediate Similarity NPC176971
0.8485 Intermediate Similarity NPC326447
0.8454 Intermediate Similarity NPC84325
0.8444 Intermediate Similarity NPC197783
0.8427 Intermediate Similarity NPC23837
0.8416 Intermediate Similarity NPC474272
0.8416 Intermediate Similarity NPC234639
0.84 Intermediate Similarity NPC157473
0.84 Intermediate Similarity NPC258171
0.84 Intermediate Similarity NPC227894
0.84 Intermediate Similarity NPC151530
0.8384 Intermediate Similarity NPC8302
0.8384 Intermediate Similarity NPC473393
0.8352 Intermediate Similarity NPC23167
0.8333 Intermediate Similarity NPC88868
0.8333 Intermediate Similarity NPC231251
0.8333 Intermediate Similarity NPC183648
0.8333 Intermediate Similarity NPC175313
0.8333 Intermediate Similarity NPC248817
0.8333 Intermediate Similarity NPC473809
0.8333 Intermediate Similarity NPC137685
0.8333 Intermediate Similarity NPC475852
0.8333 Intermediate Similarity NPC25067
0.8317 Intermediate Similarity NPC146530
0.8317 Intermediate Similarity NPC291837
0.8317 Intermediate Similarity NPC309982
0.8261 Intermediate Similarity NPC113460
0.8261 Intermediate Similarity NPC25493
0.8252 Intermediate Similarity NPC257124
0.8252 Intermediate Similarity NPC173746
0.8252 Intermediate Similarity NPC166837
0.8252 Intermediate Similarity NPC8547
0.8252 Intermediate Similarity NPC156840
0.8252 Intermediate Similarity NPC23332
0.8235 Intermediate Similarity NPC246358
0.8235 Intermediate Similarity NPC127326
0.8235 Intermediate Similarity NPC259554
0.8235 Intermediate Similarity NPC233731
0.8235 Intermediate Similarity NPC36108
0.8235 Intermediate Similarity NPC7097
0.8235 Intermediate Similarity NPC82016
0.8222 Intermediate Similarity NPC265146
0.8222 Intermediate Similarity NPC124436
0.8218 Intermediate Similarity NPC186469
0.8218 Intermediate Similarity NPC233320
0.82 Intermediate Similarity NPC227255
0.82 Intermediate Similarity NPC288760
0.8173 Intermediate Similarity NPC199462
0.8172 Intermediate Similarity NPC318325
0.8172 Intermediate Similarity NPC242240
0.8172 Intermediate Similarity NPC258219
0.8172 Intermediate Similarity NPC123273
0.8172 Intermediate Similarity NPC177420
0.8172 Intermediate Similarity NPC280347
0.8155 Intermediate Similarity NPC106141
0.8155 Intermediate Similarity NPC179309
0.8155 Intermediate Similarity NPC31279
0.8155 Intermediate Similarity NPC46844
0.8152 Intermediate Similarity NPC206876
0.8152 Intermediate Similarity NPC184169
0.8119 Intermediate Similarity NPC30416
0.8119 Intermediate Similarity NPC326801
0.8105 Intermediate Similarity NPC138117
0.8105 Intermediate Similarity NPC325292
0.8095 Intermediate Similarity NPC141003
0.8095 Intermediate Similarity NPC165106
0.8095 Intermediate Similarity NPC26524
0.8095 Intermediate Similarity NPC35344
0.8095 Intermediate Similarity NPC303522
0.8095 Intermediate Similarity NPC204120
0.8095 Intermediate Similarity NPC109241
0.8085 Intermediate Similarity NPC55561
0.8085 Intermediate Similarity NPC300017
0.8077 Intermediate Similarity NPC57879
0.8077 Intermediate Similarity NPC203924
0.8077 Intermediate Similarity NPC296920
0.8077 Intermediate Similarity NPC470723
0.8077 Intermediate Similarity NPC78918
0.8077 Intermediate Similarity NPC90520
0.8077 Intermediate Similarity NPC55300
0.8077 Intermediate Similarity NPC245552
0.8077 Intermediate Similarity NPC139617
0.8065 Intermediate Similarity NPC104216
0.8061 Intermediate Similarity NPC171843
0.8058 Intermediate Similarity NPC165386
0.8039 Intermediate Similarity NPC194034
0.8039 Intermediate Similarity NPC35543
0.8022 Intermediate Similarity NPC125306
0.802 Intermediate Similarity NPC475269
0.8019 Intermediate Similarity NPC235250
0.8 Intermediate Similarity NPC280606
0.8 Intermediate Similarity NPC304541
0.8 Intermediate Similarity NPC165646
0.8 Intermediate Similarity NPC115379
0.8 Intermediate Similarity NPC155908
0.7981 Intermediate Similarity NPC2682
0.7981 Intermediate Similarity NPC303521
0.798 Intermediate Similarity NPC253746
0.7979 Intermediate Similarity NPC302546
0.7979 Intermediate Similarity NPC98772
0.7961 Intermediate Similarity NPC241549
0.7961 Intermediate Similarity NPC245115
0.7957 Intermediate Similarity NPC307235
0.7957 Intermediate Similarity NPC407
0.7944 Intermediate Similarity NPC475815
0.7944 Intermediate Similarity NPC473264
0.7944 Intermediate Similarity NPC47194
0.7944 Intermediate Similarity NPC464
0.7944 Intermediate Similarity NPC185541
0.7944 Intermediate Similarity NPC296526
0.7941 Intermediate Similarity NPC164576
0.7938 Intermediate Similarity NPC313650
0.7925 Intermediate Similarity NPC90903
0.7905 Intermediate Similarity NPC266932
0.7905 Intermediate Similarity NPC21890
0.7905 Intermediate Similarity NPC195873
0.7905 Intermediate Similarity NPC275627
0.7872 Intermediate Similarity NPC157213
0.7872 Intermediate Similarity NPC47422
0.7872 Intermediate Similarity NPC27974
0.787 Intermediate Similarity NPC19290
0.787 Intermediate Similarity NPC81067
0.787 Intermediate Similarity NPC312105
0.787 Intermediate Similarity NPC9341
0.787 Intermediate Similarity NPC229147
0.787 Intermediate Similarity NPC221049
0.787 Intermediate Similarity NPC85292
0.787 Intermediate Similarity NPC54507
0.787 Intermediate Similarity NPC141090
0.787 Intermediate Similarity NPC33900
0.785 Intermediate Similarity NPC294941
0.785 Intermediate Similarity NPC180508
0.785 Intermediate Similarity NPC252004
0.785 Intermediate Similarity NPC228287
0.785 Intermediate Similarity NPC161696
0.7849 Intermediate Similarity NPC155393
0.7843 Intermediate Similarity NPC154899
0.7843 Intermediate Similarity NPC233396
0.7843 Intermediate Similarity NPC127676
0.7835 Intermediate Similarity NPC27323
0.7835 Intermediate Similarity NPC316301
0.7822 Intermediate Similarity NPC304638
0.7812 Intermediate Similarity NPC45040
0.7812 Intermediate Similarity NPC270547
0.7812 Intermediate Similarity NPC204210
0.781 Intermediate Similarity NPC94045
0.781 Intermediate Similarity NPC168657
0.7798 Intermediate Similarity NPC120075
0.7798 Intermediate Similarity NPC293619
0.7798 Intermediate Similarity NPC474933
0.7798 Intermediate Similarity NPC25648
0.7798 Intermediate Similarity NPC164386
0.7798 Intermediate Similarity NPC195466
0.7798 Intermediate Similarity NPC469954

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC71853 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
0.85 High Similarity NPD2684 Approved
0.8485 Intermediate Similarity NPD3134 Approved
0.8416 Intermediate Similarity NPD5451 Approved
0.84 Intermediate Similarity NPD1358 Approved
0.8252 Intermediate Similarity NPD228 Approved
0.8222 Intermediate Similarity NPD111 Approved
0.8173 Intermediate Similarity NPD7843 Approved
0.8173 Intermediate Similarity NPD821 Approved
0.8095 Intermediate Similarity NPD1241 Discontinued
0.8095 Intermediate Similarity NPD5283 Phase 1
0.8039 Intermediate Similarity NPD290 Approved
0.8 Intermediate Similarity NPD5535 Approved
0.7944 Intermediate Similarity NPD7157 Approved
0.7941 Intermediate Similarity NPD968 Approved
0.7872 Intermediate Similarity NPD9295 Approved
0.787 Intermediate Similarity NPD3596 Phase 2
0.7835 Intermediate Similarity NPD2934 Approved
0.7835 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD2933 Approved
0.7755 Intermediate Similarity NPD2859 Approved
0.7755 Intermediate Similarity NPD2860 Approved
0.7736 Intermediate Similarity NPD1139 Approved
0.7736 Intermediate Similarity NPD1137 Approved
0.7727 Intermediate Similarity NPD6581 Approved
0.7727 Intermediate Similarity NPD6580 Approved
0.7708 Intermediate Similarity NPD9365 Approved
0.7685 Intermediate Similarity NPD593 Approved
0.7685 Intermediate Similarity NPD595 Approved
0.767 Intermediate Similarity NPD9697 Approved
0.7664 Intermediate Similarity NPD1138 Approved
0.7658 Intermediate Similarity NPD5691 Approved
0.7658 Intermediate Similarity NPD1651 Approved
0.7658 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD5536 Phase 2
0.7615 Intermediate Similarity NPD2557 Approved
0.7589 Intermediate Similarity NPD2667 Approved
0.7589 Intermediate Similarity NPD4626 Approved
0.7589 Intermediate Similarity NPD2668 Approved
0.7568 Intermediate Similarity NPD1548 Phase 1
0.7525 Intermediate Similarity NPD3020 Approved
0.7522 Intermediate Similarity NPD3847 Discontinued
0.75 Intermediate Similarity NPD1357 Approved
0.7475 Intermediate Similarity NPD9296 Approved
0.7456 Intermediate Similarity NPD1281 Approved
0.7455 Intermediate Similarity NPD709 Approved
0.7455 Intermediate Similarity NPD6671 Approved
0.7451 Intermediate Similarity NPD3028 Approved
0.7434 Intermediate Similarity NPD6516 Phase 2
0.7434 Intermediate Similarity NPD5846 Approved
0.7431 Intermediate Similarity NPD592 Approved
0.7431 Intermediate Similarity NPD594 Approved
0.7411 Intermediate Similarity NPD1182 Approved
0.7411 Intermediate Similarity NPD1894 Discontinued
0.74 Intermediate Similarity NPD844 Approved
0.74 Intermediate Similarity NPD1809 Phase 2
0.7391 Intermediate Similarity NPD3972 Approved
0.7379 Intermediate Similarity NPD846 Approved
0.7379 Intermediate Similarity NPD940 Approved
0.7374 Intermediate Similarity NPD845 Approved
0.7345 Intermediate Similarity NPD3444 Approved
0.7345 Intermediate Similarity NPD3049 Approved
0.7345 Intermediate Similarity NPD3443 Approved
0.7345 Intermediate Similarity NPD3445 Approved
0.7328 Intermediate Similarity NPD6583 Phase 3
0.7328 Intermediate Similarity NPD3685 Discontinued
0.7328 Intermediate Similarity NPD2429 Approved
0.7328 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD6540 Phase 3
0.7328 Intermediate Similarity NPD6582 Phase 2
0.7328 Intermediate Similarity NPD1669 Approved
0.7328 Intermediate Similarity NPD6543 Approved
0.7328 Intermediate Similarity NPD6539 Approved
0.7328 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD2428 Approved
0.7328 Intermediate Similarity NPD5327 Phase 3
0.7328 Intermediate Similarity NPD6542 Approved
0.7327 Intermediate Similarity NPD288 Approved
0.7304 Intermediate Similarity NPD3705 Approved
0.7304 Intermediate Similarity NPD1610 Phase 2
0.7304 Intermediate Similarity NPD422 Phase 1
0.7297 Intermediate Similarity NPD6387 Discontinued
0.7281 Intermediate Similarity NPD2556 Approved
0.7281 Intermediate Similarity NPD2554 Approved
0.7265 Intermediate Similarity NPD6541 Approved
0.7265 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD1283 Approved
0.7265 Intermediate Similarity NPD6538 Approved
0.7265 Intermediate Similarity NPD1876 Approved
0.7257 Intermediate Similarity NPD2486 Discontinued
0.7241 Intermediate Similarity NPD1840 Phase 2
0.7241 Intermediate Similarity NPD2981 Phase 2
0.7238 Intermediate Similarity NPD9610 Approved
0.7238 Intermediate Similarity NPD9608 Approved
0.7217 Intermediate Similarity NPD3496 Discontinued
0.7212 Intermediate Similarity NPD291 Approved
0.7203 Intermediate Similarity NPD1820 Approved
0.7203 Intermediate Similarity NPD1819 Approved
0.7203 Intermediate Similarity NPD1817 Approved
0.7203 Intermediate Similarity NPD1818 Approved
0.7196 Intermediate Similarity NPD5373 Approved
0.7196 Intermediate Similarity NPD5374 Approved
0.7193 Intermediate Similarity NPD2595 Approved
0.7193 Intermediate Similarity NPD5585 Approved
0.7193 Intermediate Similarity NPD2594 Approved
0.7179 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD2982 Phase 2
0.7179 Intermediate Similarity NPD2983 Phase 2
0.7155 Intermediate Similarity NPD1535 Discovery
0.7143 Intermediate Similarity NPD6584 Phase 3
0.7143 Intermediate Similarity NPD4624 Approved
0.7143 Intermediate Similarity NPD3690 Phase 2
0.7143 Intermediate Similarity NPD3691 Phase 2
0.7143 Intermediate Similarity NPD7018 Phase 2
0.713 Intermediate Similarity NPD1778 Approved
0.713 Intermediate Similarity NPD17 Approved
0.7119 Intermediate Similarity NPD196 Phase 1
0.7115 Intermediate Similarity NPD1242 Phase 1
0.7115 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD1481 Phase 2
0.7094 Intermediate Similarity NPD2232 Approved
0.7094 Intermediate Similarity NPD2233 Approved
0.7094 Intermediate Similarity NPD2230 Approved
0.7069 Intermediate Similarity NPD3294 Phase 2
0.7059 Intermediate Similarity NPD987 Approved
0.7043 Intermediate Similarity NPD6382 Discontinued
0.7034 Intermediate Similarity NPD4129 Approved
0.7025 Intermediate Similarity NPD4908 Phase 1
0.7025 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD1611 Approved
0.7009 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9087 Approved
0.6983 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6983 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6975 Remote Similarity NPD8651 Approved
0.6967 Remote Similarity NPD3027 Phase 3
0.6967 Remote Similarity NPD3165 Approved
0.6967 Remote Similarity NPD5163 Phase 2
0.6967 Remote Similarity NPD3167 Approved
0.6967 Remote Similarity NPD3166 Approved
0.6967 Remote Similarity NPD5746 Approved
0.6967 Remote Similarity NPD3164 Approved
0.6957 Remote Similarity NPD9294 Approved
0.6957 Remote Similarity NPD9545 Approved
0.6949 Remote Similarity NPD2235 Phase 2
0.6949 Remote Similarity NPD1608 Approved
0.6949 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6949 Remote Similarity NPD2231 Phase 2
0.6942 Remote Similarity NPD454 Approved
0.6942 Remote Similarity NPD9494 Approved
0.6942 Remote Similarity NPD3018 Phase 2
0.6942 Remote Similarity NPD2861 Phase 2
0.6942 Remote Similarity NPD4993 Discontinued
0.6917 Remote Similarity NPD4098 Discontinued
0.6917 Remote Similarity NPD3567 Approved
0.6917 Remote Similarity NPD1794 Approved
0.6917 Remote Similarity NPD3568 Approved
0.6917 Remote Similarity NPD1770 Clinical (unspecified phase)
0.6916 Remote Similarity NPD9501 Approved
0.6911 Remote Similarity NPD6798 Discontinued
0.6911 Remote Similarity NPD5110 Phase 2
0.6911 Remote Similarity NPD1039 Discontinued
0.6911 Remote Similarity NPD5718 Phase 2
0.6911 Remote Similarity NPD5111 Phase 2
0.6911 Remote Similarity NPD5109 Approved
0.6911 Remote Similarity NPD7294 Phase 1
0.6911 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6911 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6911 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3021 Approved
0.6909 Remote Similarity NPD3022 Approved
0.6909 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4359 Approved
0.6891 Remote Similarity NPD1421 Approved
0.6891 Remote Similarity NPD1420 Approved
0.6885 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6881 Remote Similarity NPD9624 Approved
0.6864 Remote Similarity NPD776 Approved
0.6864 Remote Similarity NPD1091 Approved
0.686 Remote Similarity NPD7905 Discontinued
0.6855 Remote Similarity NPD1423 Approved
0.6855 Remote Similarity NPD2674 Phase 3
0.6855 Remote Similarity NPD6233 Phase 2
0.6855 Remote Similarity NPD3058 Clinical (unspecified phase)
0.6855 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6855 Remote Similarity NPD5745 Approved
0.6855 Remote Similarity NPD4062 Phase 3
0.6855 Remote Similarity NPD7265 Discontinued
0.6855 Remote Similarity NPD554 Clinical (unspecified phase)
0.6833 Remote Similarity NPD2922 Phase 1
0.6829 Remote Similarity NPD7095 Approved
0.6829 Remote Similarity NPD3179 Approved
0.6829 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6179 Discontinued
0.6829 Remote Similarity NPD3180 Approved
0.6807 Remote Similarity NPD9717 Approved
0.6803 Remote Similarity NPD1712 Approved
0.68 Remote Similarity NPD4060 Phase 1
0.68 Remote Similarity NPD3142 Approved
0.68 Remote Similarity NPD2979 Phase 3

Structure

External Identifiers

PubChem CID   8815
ChEMBL   CHEMBL470671
ZINC  

Physicochemical Properties

Molecular Weight:  148.09
ALogP:  0.9769
MLogP:  2.45
XLogP:  3.658
# Rotatable Bonds:  4
Polar Surface Area:  9.23
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  11

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs