Natural Product: NPC282923

Natural Product ID:  NPC282923
Common Name:   Chrysophanol
IUPAC Name:   1,8-dihydroxy-3-methylanthracene-9,10-dione
Synonyms:   Chrysophanol
Molecular Formula:   C15H10O4
Standard InCHIKey:  LQGUBLBATBMXHT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
Canonical SMILES:  Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
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
NPO30021 Rheum emodi Species Polygonaceae Eukaryota Roots Gorkha district, Nepal 1996-OCT PMID[12932135]
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota UNPD*
NPO15077 Achyranthes bidentata Species Amaranthaceae Eukaryota TCM_Taiwan*
NPO13754 Tanacetum coccineum Species Asteraceae Eukaryota UNPD*
NPO22526 Justicia secunda Species Acanthaceae Eukaryota UNPD*
NPO10316 Glechoma longituba Species Lamiaceae Eukaryota TM-MC*
NPO18144 Metrodorea nigra Species Rutaceae Eukaryota UNPD*
NPO17774 Hemerocallis fulva Species Xanthorrhoeaceae Eukaryota TCM_Taiwan*
NPO7706 Bartlettina karwinskiana Species Asteraceae Eukaryota UNPD*
NPO13229 Clibadium sprucei Species Asteraceae Eukaryota UNPD*
NPO23256 Mentha arvensis Species Lamiaceae Eukaryota TM-MC*
NPO12252 Psychotria stachyoides Species Rubiaceae Eukaryota UNPD*
NPO18339 Rheum wittrocki Species Polygonaceae Eukaryota TCM_Taiwan*
NPO17856 Anaphalis lactea Species Asteraceae Eukaryota UNPD*
NPO21376 Lupinus corymbosus Species Fabaceae Eukaryota UNPD*
NPO12328 Ampelopsis japonica Species Vitaceae Eukaryota TCMSP*
NPO20422 Albizia myriophylla Species Fabaceae Eukaryota UNPD*
NPO13857 Mentha canadensis Species Lamiaceae Eukaryota TM-MC*
NPO20947 Tagetes filifolia Species Asteraceae Eukaryota UNPD*
NPO18640 Tectona grandis Species Lamiaceae Eukaryota TCM_Taiwan*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO15422 Carduus tenuiflorus Species Asteraceae Eukaryota UNPD*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO19671 Dipsacus azureus Species Caprifoliaceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO13421 Sphaerella laricina NA NA NA UNPD*
NPO24601 Rumex dentatus Species Polygonaceae Eukaryota TCM_Taiwan*
NPO19232 Anchusa azurea Species Boraginaceae Eukaryota UNPD*
NPO3035 Karwinskia humboldtiana Species Rhamnaceae Eukaryota UNPD*
NPO29651 Sennae folium NA NA NA TCMSP*
NPO10359 Chaiturus marrubiastrum Species Lamiaceae Eukaryota UNPD*
NPO17553 Pleione bulbocodioides Species Orchidaceae Eukaryota TM-MC*
NPO9402 Morus mongolica Species Moraceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO17018 Salvia greggii Species Lamiaceae Eukaryota UNPD*
NPO18867 Stephanitis takeyai Species Tingidae Eukaryota UNPD*
NPO29638 Asteris radix et rhizoma NA NA NA TCMSP*
NPO2631 Aster sedifolius Species Asteraceae Eukaryota UNPD*
NPO12875 Pleione yunnanensis Species Orchidaceae Eukaryota TM-MC*
NPO24629 Achromobacter denitrificans Species Alcaligenaceae Bacteria UNPD*
NPO29776 Cassia acutifolia Species Fabaceae Eukaryota TCM_Taiwan*
NPO20144 Lespedeza tomentosa Species Fabaceae Eukaryota UNPD*
NPO20844 Sphaerella rosigena NA NA NA UNPD*
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO20560 Polyporus betulinus Species Polyporaceae Eukaryota UNPD*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota TM-MC*
NPO10239 Magnolia figo Species Magnoliaceae Eukaryota UNPD*
NPO29780 Cassia mimosoides Species Fabaceae Eukaryota TCM_Taiwan*
NPO21112 Chaetomium carinthiacum Species Chaetomiaceae Eukaryota UNPD*
NPO27239 Maclura tinctoria Species Moraceae Eukaryota UNPD*
NPO29644 Xanthii fructus NA NA NA TCMSP*
NPO3214 Lavandula vera Species Lamiaceae Eukaryota UNPD*
NPO29417 Fallopia multiflora Species Polygonaceae Eukaryota TM-MC*
NPO11749 Eria mollis Species Orchidaceae Eukaryota UNPD*
NPO29836 Cassia obtusifolia Species Fabaceae Eukaryota TCM_Taiwan*
NPO13246 Pinalia stricta Species Orchidaceae Eukaryota UNPD*
NPO10216 Leptocereus quadricostatus Species Cactaceae Eukaryota UNPD*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO29648 Cassiae semen NA NA NA TCMSP*
NPO24407 Bipolaris heveae Species Pleosporaceae Eukaryota UNPD*
NPO25238 Rheum coreanum Species Polygonaceae Eukaryota TM-MC*
NPO2228 Photinia serratifolia Species Rosaceae Eukaryota UNPD*
NPO30179 Cassia occidentalis Species Fabaceae Eukaryota TCM_Taiwan*
NPO17698 Cirsium oligophyllum Species Asteraceae Eukaryota UNPD*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota UNPD*
NPO26393.1 Petunia integrifolia subsp. inflata Subspecies Solanaceae Eukaryota UNPD*
NPO32273 Streptomyces ak 671 Species Streptomycetaceae Bacteria StreptomeDB*
NPO19395 Nepeta granatensis Species Lamiaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TM-MC*
NPO10688 Flacourtia jangomas Species Salicaceae Eukaryota UNPD*
NPO31073 Ligusticum chuanxiong Species Apiaceae Eukaryota TCM_Taiwan*
NPO17568 Balanophora laxiflora Species Balanophoraceae Eukaryota UNPD*
NPO22675 Helichrysum chionosphaerum Species Asteraceae Eukaryota UNPD*
NPO624 Isaria fumosorosea Species Cordycipitaceae Eukaryota UNPD*
NPO25628.1 Abrus pulchellus subsp. cantoniensis Subspecies Fabaceae Eukaryota TM-MC*
NPO14554 Stevia ovata Species Asteraceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TM-MC*
NPO2198 Rivularia firma Species Rivulariaceae Bacteria UNPD*
NPO31520 Polygonum multiflorum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota UNPD*
NPO27737 Penicillium shearii Species Aspergillaceae Eukaryota UNPD*
NPO19037 Senecio praecox Species Asteraceae Eukaryota UNPD*
NPO15077 Achyranthes bidentata Species Amaranthaceae Eukaryota TM-MC*
NPO20753 Grangea maderaspatana Species Asteraceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TM-MC*
NPO20625 Delphinium virgatum Species Ranunculaceae Eukaryota UNPD*
NPO574 Rumex nepalensis Species Polygonaceae Eukaryota TCM_Taiwan*
NPO27164 Aspergillus alliaceus Species Aspergillaceae Eukaryota UNPD*
NPO9752 Miliusa velutina Species Annonaceae Eukaryota UNPD*
NPO27454 Turbo cornutus Species Turbinidae Eukaryota UNPD*
NPO14123 Achyranthes fauriei Species Amaranthaceae Eukaryota TM-MC*
NPO6675 Aplophyllum myrtifolium NA NA NA UNPD*
NPO16419 Rumex chalepensis Species Polygonaceae Eukaryota TM-MC*
NPO4345 Caulocystis cephalornithos Species Sargassaceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO986 Rattus rattus Species Muridae Eukaryota UNPD*
NPO13716 Aconitum tasiromontanum Species Ranunculaceae Eukaryota UNPD*
NPO3110 Selaginella labordei Species Selaginellaceae Eukaryota UNPD*
NPO23189 Achyranthes japonica Species Amaranthaceae Eukaryota TM-MC*
NPO9448 Dictyopteris australis Species Dictyotaceae Eukaryota UNPD*
NPO25658 Rumex japonicus Species Polygonaceae Eukaryota TM-MC*
NPO18287 Penicillium bilaiae Species Aspergillaceae Eukaryota UNPD*
NPO13545 Danaus gilippus Species Nymphalidae Eukaryota UNPD*
NPO16590 Cytophaga hutchinsoni Species Cytophagaceae Bacteria UNPD*
NPO14217 Adansonia grandidieri Species Malvaceae Eukaryota UNPD*
NPO5681 Acorus gramineus Species Acoraceae Eukaryota TM-MC*
NPO3068 Euphorbia franchetii Species Euphorbiaceae Eukaryota UNPD*
NPO21691 Dillenia indica Species Dilleniaceae Eukaryota UNPD*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota UNPD*
NPO7819.1 Epichloe festucae var. lolii Varieties Clavicipitaceae Eukaryota UNPD*
NPO20353 Degenia velebitica Species Brassicaceae Eukaryota UNPD*
NPO27873 Ravenia spectabilis Species Rutaceae Eukaryota UNPD*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TM-MC*
NPO20223 Rosa pomifera Species Rosaceae Eukaryota UNPD*
NPO14412 Aphyllocladus denticulatus Species Asteraceae Eukaryota UNPD*
NPO26917 Quercus rubra Species Fagaceae Eukaryota UNPD*
NPO13403 Gadus morhua callarias Species Gadidae Eukaryota UNPD*
NPO4591 Neobellieria bullata Species Sarcophagidae Eukaryota UNPD*
NPO16725 Dalbergia hupeana Species Fabaceae Eukaryota UNPD*
NPO29639 Aucklandiae radix NA NA NA TCMSP*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota Rhizomes PMID[10714491]
NPO14520 Bassia muricata Species Chenopodiaceae Eukaryota UNPD*
NPO15391 Taraxacum kok-saghyz Species Asteraceae Eukaryota UNPD*
NPO559 Mimusops globosa Species Sapotaceae Eukaryota UNPD*
NPO27140 Amanita phalloides Species Amanitaceae Eukaryota UNPD*
NPO29703 Abri herba NA NA NA TCMSP*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota Roots PMID[11459643]
NPO1501 Senecio subdentatus Species Asteraceae Eukaryota UNPD*
NPO14248 Mandragora autumnalis Species Solanaceae Eukaryota UNPD*
NPO3954 Lanaria lanata Species Lanariaceae Eukaryota UNPD*
NPO19913 Rhynchophorus ferrugineus Species Curculionidae Eukaryota UNPD*
NPO12092 Hemerocallis radix Species Asphodelaceae Eukaryota TCMSP*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO30060 Alvaradoa haitiensis Species Picramniaceae Eukaryota Leaves PMID[17552563]
NPO27790 Delia arenicola Species Anthomyiidae Eukaryota UNPD*
NPO20490 Erythrophleum ivorense Species Fabaceae Eukaryota UNPD*
NPO8386 Enceliopsis argophylla Species Asteraceae Eukaryota UNPD*
NPO26972 Baccharis potosina Species Asteraceae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO33118 Rhamnus Genus Rhamnaceae Eukaryota PMID[8350094]
NPO19050 Garcinia polyantha Species Clusiaceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota UNPD*
NPO21244 Delphinium nuttallianum Species Ranunculaceae Eukaryota UNPD*
NPO19512 Gleichenia quadripartita Species Gleicheniaceae Eukaryota UNPD*
NPO29697 Menthae herba NA NA NA TCMSP*
NPO28688 Aster tataricus Species Asteraceae Eukaryota TM-MC*
NPO23982 Ventilago leiocarpa Species Rhamnaceae Eukaryota PMID[11374975]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO14932.1 Dalbergia lanceolaria subsp. paniculata Subspecies Fabaceae Eukaryota UNPD*
NPO2140 Botryococcus braunii Species Botryococcaceae Eukaryota UNPD*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO32491 rumex plants NA Polygonaceae Eukaryota PMID[23683594]
NPO16572 Rhododendron dahuricum Species Ericaceae Eukaryota UNPD*
NPO3980 Frangula purshiana Species Rhamnaceae Eukaryota UNPD*
NPO29683 Sargentodoxae caulis NA NA NA TCMSP*
NPO8921 Senna obtusifolia Species Fabaceae Eukaryota TM-MC*
NPO32783 endophytic aspergillus Species NA NA PMID[23683594]
NPO27564 Stevia berlandieri Species Asteraceae Eukaryota UNPD*
NPO21564 Senecio behnii Species Asteraceae Eukaryota UNPD*
NPO3912 Areca catechu Species Arecaceae Eukaryota TCMSP*
NPO7672 Senna tora Species Fabaceae Eukaryota TM-MC*
NPO33246 kniphofia ensifolia Species Asphodelaceae Eukaryota PMID[24326280]
NPO19818 Jacquemontia paniculata Species Convolvulaceae Eukaryota UNPD*
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota UNPD*
NPO1228 Radix rhei et rhizome Species Lymnaeidae Eukaryota TCMSP*
NPO1756 Cremastra appendiculata Species Orchidaceae Eukaryota TM-MC*
NPO31136 Cassia tora Species Fabaceae Eukaryota Seeds PMID[26483136]
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota UNPD*
NPO12108 Aizopsis selskiana Species Crassulaceae Eukaryota UNPD*
NPO13454 Amphorogyne spicata Species Amphorogynaceae Eukaryota UNPD*
NPO29717 Glechomae herba NA NA NA TCMSP*
NPO13237 Teucrium yemense Species Lamiaceae Eukaryota UNPD*
NPO17822 Fridericia triplinervia Species Bignoniaceae Eukaryota UNPD*
NPO14104 Dendriopoterium menendezii Species Rosaceae Eukaryota UNPD*
NPO29609 Polygoni cuspidati rhizoma et radix NA NA NA TCMSP*
NPO16845 Euodia bodinieri Species Rutaceae Eukaryota TM-MC*
NPO6628 Ramularia collo-cygni Species Mycosphaerellaceae Eukaryota PMID[18605693]
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TCM_Taiwan*
NPO9708 Aster verticillatus Species Asteraceae Eukaryota UNPD*
NPO19996 Caulerpa peltata Species Caulerpaceae Eukaryota UNPD*
NPO4877 Euodia officinalis Species Rutaceae Eukaryota TM-MC*
NPO33686 Ramularia uredinicola Species Mycosphaerellaceae Eukaryota PMID[18605693]
NPO17336 Benincasa hispida Species Cucurbitaceae Eukaryota UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota PMID[24358188]
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota UNPD*
NPO13523 Neobalanocarpus heimii Species Dipterocarpaceae Eukaryota UNPD*
NPO8314 Euodia ruticarpa Species Rutaceae Eukaryota TM-MC*
NPO4132 Cranfillia fluviatilis Species Blechnaceae Eukaryota UNPD*
NPO13054 Rhamnus davurica Species Rhamnaceae Eukaryota TCM_Taiwan*
NPO14800 Oophaga granulifera Species Dendrobatidae Eukaryota UNPD*
NPO23639 Cynanchum viminale Species Apocynaceae Eukaryota UNPD*
NPO19935 Tetradium ruticarpum Species Rutaceae Eukaryota TM-MC*
NPO4278 Wikstroemia monticola Species Thymelaeaceae Eukaryota UNPD*
NPO13107 Rumex patientia Species Polygonaceae Eukaryota TCM_Taiwan*
NPO1671.1 Xanthium strumarium var. canadense Varieties Asteraceae Eukaryota UNPD*
NPO16142 Verbascum thapsiforme Species Scrophulariaceae Eukaryota UNPD*
NPO25902 Glechoma grandis Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus ID50 > 0.393 nM 3339601
NPT279 Individual Protein Leukocyte elastase Homo sapiens Inhibition = 79 % 1578486
NPT279 Individual Protein Leukocyte elastase Homo sapiens IC50 = 18000 nM 1578486
NPT278 Individual Protein Cathepsin G Homo sapiens Inhibition = 39 % 1578486
NPT32 Organism Mus musculus Mus musculus IC50 > 100000 nM 10714491
NPT32 Organism Mus musculus Mus musculus Inhibition = 2 % 10714491
NPT762 Cell Line A-431 Homo sapiens Inhibition = 21.1 % 16275083
NPT306 Cell Line PC-3 Homo sapiens Inhibition = 19.5 % 16275083
NPT637 Organism Fusarium oxysporum Fusarium oxysporum Inhibition = 5.4 % 16275083
NPT1276 Organism Gibberella zeae Gibberella zeae Inhibition = 0 % 16275083
NPT825 Organism Phytophthora infestans Phytophthora infestans Inhibition = 2.4 % 16275083
NPT878 Organism Streptococcus mutans Streptococcus mutans MIC = 250 ug/ml 17220400
NPT878 Organism Streptococcus mutans Streptococcus mutans Inhibition = 75 % 17220400
NPT91 Cell Line KB Homo sapiens EC50 > 20000 nM 17552563
NPT886 Cell Line NIH3T3 Mus musculus GI50 > 62.5 ug/ml 18163590
NPT397 Cell Line NCI-H460 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT1773 Cell Line ME-180 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT90 Cell Line DU-145 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT83 Cell Line MCF7 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT387 Cell Line M14 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT139 Cell Line HT-29 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT306 Cell Line PC-3 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT111 Cell Line K562 Homo sapiens GI50 > 62.5 ug/ml 18163590
NPT189 Cell Line Vero Chlorocebus aethiops GI50 > 62.5 ug/ml 18163590
NPT2 Others Unspecified Activity > 0.25 ug/ml 2213033
NPT1306 Cell Line WISH Homo sapiens IC50 > 100000 nM 11374975
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 100000 nM 11374975
NPT80 Cell Line Raji Homo sapiens IC50 > 100000 nM 11374975
NPT111 Cell Line K562 Homo sapiens IC50 > 100000 nM 11374975
NPT165 Cell Line HeLa Homo sapiens IC50 > 100000 nM 11374975
NPT1307 Cell Line Calu-1 Homo sapiens IC50 > 100000 nM 11374975
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 47400 nM 17949858
NPT65 Cell Line HepG2 Homo sapiens IC50 = 64400 nM 17949858
NPT2 Others Unspecified ED50 = 3.23 ug/ml 10.1021/np50085a021
NPT91 Cell Line KB Homo sapiens ED50 = 5.68 ug/ml 10.1021/np50085a021
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 5 ug/ml 15043409
NPT858 Cell Line LNCaP Homo sapiens ED50 > 5 ug/ml 15043409
NPT83 Cell Line MCF7 Homo sapiens ED50 > 5 ug/ml 15043409
NPT737 Cell Line HUVEC Homo sapiens ED50 > 5 ug/ml 15043409
NPT2 Others Unspecified Activity < 50 % 7494143
NPT2 Others Unspecified Activity = 82.6 % 8350094
NPT2 Others Unspecified Activity = 90.6 % 8350094
NPT2 Others Unspecified Activity = 85.4 % 8350094
NPT2 Others Unspecified Activity = 88.3 % 8350094
NPT1 Others Radical scavenging activity IC50 > 100 ug/ml 12932135
NPT2757 Individual Protein Purinergic receptor P2Y12 Homo sapiens Inhibition = 13 % 19463000
NPT2757 Individual Protein Purinergic receptor P2Y12 Homo sapiens Ki > 10000 nM 19463000
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 7079.5 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 2238.7 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 2818.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT45 Individual Protein Ubiquitin carboxyl-terminal hydrolase 2 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus IC50 = 194000 nM 21106380
NPT3022 Individual Protein Thioredoxin reductase 2, mitochondrial Rattus norvegicus IC50 = 181000 nM 21106380
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3294.4 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 8275.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5955.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3349.1 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 6682.4 nM PubChem BioAssay data set
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana GI = 22.5 % 19650641
NPT529 Organism Rhizoctonia solani Rhizoctonia solani GI = 21.2 % 19650641
NPT314 Organism Bacillus cereus Bacillus cereus IZ < 10 mm 19650641
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ < 10 mm 19650641
NPT19 Organism Escherichia coli Escherichia coli IZ < 10 mm 19650641
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ < 10 mm 19650641
NPT3519 Organism Blumeria graminis f. sp. hordei Blumeria graminis f. sp. hordei IC50 = 4.7 ug/ml 21992072
NPT992 Organism Entamoeba histolytica Entamoeba histolytica IC50 = 6.21 ug/ml 10.1007/s00044-011-9767-1
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 0.25 cm2 10.1016/S0367-326X(01)00280-5
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 0.43 cm2 10.1016/S0367-326X(01)00280-5
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 0.61 cm2 10.1016/S0367-326X(01)00280-5
NPT1369 Organism Henosepilachna vigintioctopunctata Henosepilachna vigintioctopunctata Activity = 26 % 10.1016/S0367-326X(01)00280-5
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 13.6 cm2 10.1016/S0367-326X(01)00280-5
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 24 cm2 10.1016/S0367-326X(01)00280-5
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 40.4 cm2 10.1016/S0367-326X(01)00280-5
NPT1175 Organism Spodoptera litura Spodoptera litura Activity = 20 % 10.1016/S0367-326X(01)00280-5
NPT1503 Organism Verticillium dahliae Verticillium dahliae ED50 > 100 ug/ml 12903946
NPT638 Organism Sclerotinia sclerotiorum Sclerotinia sclerotiorum ED50 > 100 ug/ml 12903946
NPT1504 Organism Sclerotinia minor Sclerotinia minor ED50 = 74.12 ug/ml 12903946
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana ED50 > 100 ug/ml 12903946
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 93.35 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 128.61 % 23571415
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 58000 nM 24326280
NPT179 Cell Line A2780 Homo sapiens IC50 > 60000 nM 24326280
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 300 ug/ml 24549242
NPT2 Others Unspecified Potency 1.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26891.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11907.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 10612.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26657.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16967.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26891.6 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33559.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 0.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 421.4 nM PubChem BioAssay data set
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries Inhibition = 42.12 % 24763362
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 46210 nM 24763362
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 36120 nM 24763362
NPT2 Others Unspecified Ratio IC50 = 1.27 24763362
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 29.37 % 24763362
NPT862 Individual Protein Epoxide hydratase Homo sapiens Inhibition = 38.1 % 26483136

  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 NPC282923 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
0.9758 High Similarity NPC205992
0.9756 High Similarity NPC99731
0.9752 High Similarity NPC103540
0.9669 High Similarity NPC173978
0.9669 High Similarity NPC142956
0.9603 High Similarity NPC115458
0.9587 High Similarity NPC375356
0.9524 High Similarity NPC70622
0.9516 High Similarity NPC48248
0.9512 High Similarity NPC3224
0.9504 High Similarity NPC300274
0.9453 High Similarity NPC283088
0.944 High Similarity NPC146647
0.944 High Similarity NPC34414
0.938 High Similarity NPC474813
0.938 High Similarity NPC272268
0.9375 High Similarity NPC288089
0.937 High Similarity NPC58685
0.9365 High Similarity NPC199253
0.9365 High Similarity NPC136588
0.9355 High Similarity NPC96915
0.9344 High Similarity NPC307174
0.9308 High Similarity NPC245923
0.9308 High Similarity NPC53206
0.9308 High Similarity NPC53414
0.9297 High Similarity NPC225051
0.9237 High Similarity NPC61398
0.9237 High Similarity NPC416
0.9237 High Similarity NPC13715
0.9231 High Similarity NPC254847
0.9213 High Similarity NPC55949
0.9213 High Similarity NPC31799
0.92 High Similarity NPC231774
0.9167 High Similarity NPC138099
0.9167 High Similarity NPC1268
0.9167 High Similarity NPC26924
0.9167 High Similarity NPC242994
0.916 High Similarity NPC471905
0.9154 High Similarity NPC80035
0.9154 High Similarity NPC161632
0.9147 High Similarity NPC52407
0.9147 High Similarity NPC314048
0.9147 High Similarity NPC53896
0.9141 High Similarity NPC72669
0.9141 High Similarity NPC244699
0.9141 High Similarity NPC474517
0.9098 High Similarity NPC315578
0.9098 High Similarity NPC169452
0.9098 High Similarity NPC285829
0.9098 High Similarity NPC181560
0.9098 High Similarity NPC206778
0.9084 High Similarity NPC141934
0.9084 High Similarity NPC155211
0.9077 High Similarity NPC287604
0.9077 High Similarity NPC50924
0.9077 High Similarity NPC161964
0.9077 High Similarity NPC44437
0.9077 High Similarity NPC472262
0.903 High Similarity NPC124365
0.9023 High Similarity NPC143438
0.9015 High Similarity NPC305060
0.9008 High Similarity NPC258502
0.9 High Similarity NPC267205
0.8984 High Similarity NPC278928
0.8963 High Similarity NPC239136
0.8963 High Similarity NPC19631
0.8963 High Similarity NPC193555
0.8955 High Similarity NPC96421
0.8947 High Similarity NPC4214
0.8923 High Similarity NPC309430
0.8915 High Similarity NPC475741
0.8898 High Similarity NPC306765
0.8898 High Similarity NPC160499
0.8897 High Similarity NPC471682
0.8889 High Similarity NPC204045
0.8889 High Similarity NPC305845
0.8889 High Similarity NPC68756
0.8889 High Similarity NPC152525
0.8889 High Similarity NPC246638
0.8889 High Similarity NPC310540
0.8881 High Similarity NPC190457
0.888 High Similarity NPC91478
0.8855 High Similarity NPC294226
0.8846 High Similarity NPC17083
0.8846 High Similarity NPC93015
0.8843 High Similarity NPC161304
0.8832 High Similarity NPC193703
0.8832 High Similarity NPC21599
0.8824 High Similarity NPC73061
0.8824 High Similarity NPC135524
0.8824 High Similarity NPC257644
0.8815 High Similarity NPC225243
0.88 High Similarity NPC120545
0.8797 High Similarity NPC193358
0.8797 High Similarity NPC191976
0.8797 High Similarity NPC315275
0.8788 High Similarity NPC1249
0.8788 High Similarity NPC282780
0.8788 High Similarity NPC12070
0.8788 High Similarity NPC166480
0.8779 High Similarity NPC110609
0.8779 High Similarity NPC246693
0.8779 High Similarity NPC242358
0.877 High Similarity NPC108288
0.8769 High Similarity NPC198305
0.8769 High Similarity NPC31539
0.8768 High Similarity NPC471683
0.875 High Similarity NPC290550
0.875 High Similarity NPC1991
0.874 High Similarity NPC74507
0.874 High Similarity NPC234890
0.874 High Similarity NPC236189
0.8731 High Similarity NPC147418
0.8722 High Similarity NPC249272
0.8712 High Similarity NPC254603
0.8712 High Similarity NPC114183
0.8705 High Similarity NPC300540
0.8696 High Similarity NPC471906
0.8696 High Similarity NPC48762
0.8696 High Similarity NPC244691
0.8686 High Similarity NPC69755
0.8682 High Similarity NPC471530
0.8676 High Similarity NPC203063
0.8676 High Similarity NPC183345
0.8647 High Similarity NPC270899
0.8633 High Similarity NPC34482
0.8623 High Similarity NPC66593
0.8618 High Similarity NPC477453
0.8615 High Similarity NPC96024
0.8615 High Similarity NPC165257
0.8615 High Similarity NPC237225
0.8613 High Similarity NPC187843
0.8593 High Similarity NPC53001
0.8593 High Similarity NPC62272
0.8571 High Similarity NPC472046
0.8571 High Similarity NPC147250
0.8571 High Similarity NPC470570
0.8571 High Similarity NPC171968
0.8561 High Similarity NPC85342
0.8561 High Similarity NPC41847
0.8561 High Similarity NPC10764
0.8561 High Similarity NPC79627
0.856 High Similarity NPC232178
0.8551 High Similarity NPC474300
0.8551 High Similarity NPC474961
0.855 High Similarity NPC276238
0.855 High Similarity NPC57552
0.855 High Similarity NPC109123
0.8538 High Similarity NPC69424
0.8538 High Similarity NPC84672
0.8538 High Similarity NPC176130
0.8538 High Similarity NPC78364
0.8529 High Similarity NPC61590
0.8529 High Similarity NPC87723
0.8519 High Similarity NPC472308
0.8519 High Similarity NPC86524
0.8519 High Similarity NPC118919
0.8516 High Similarity NPC275145
0.8511 High Similarity NPC190648
0.8511 High Similarity NPC119767
0.8511 High Similarity NPC312929
0.8511 High Similarity NPC56433
0.8511 High Similarity NPC118027
0.8511 High Similarity NPC126767
0.8511 High Similarity NPC37709
0.8511 High Similarity NPC289042
0.8511 High Similarity NPC245584
0.8492 Intermediate Similarity NPC473662
0.8492 Intermediate Similarity NPC216297
0.8492 Intermediate Similarity NPC7151
0.8489 Intermediate Similarity NPC296752
0.8489 Intermediate Similarity NPC238629
0.8489 Intermediate Similarity NPC476473
0.8489 Intermediate Similarity NPC313047
0.8489 Intermediate Similarity NPC474203
0.8489 Intermediate Similarity NPC295712
0.8489 Intermediate Similarity NPC451542
0.8485 Intermediate Similarity NPC108129
0.8485 Intermediate Similarity NPC117609
0.8485 Intermediate Similarity NPC27659
0.848 Intermediate Similarity NPC41567
0.8478 Intermediate Similarity NPC477275
0.8473 Intermediate Similarity NPC234175
0.8467 Intermediate Similarity NPC295339
0.8467 Intermediate Similarity NPC103337
0.8467 Intermediate Similarity NPC114620
0.8462 Intermediate Similarity NPC136342
0.8462 Intermediate Similarity NPC51037
0.8462 Intermediate Similarity NPC205766
0.8462 Intermediate Similarity NPC295202
0.8462 Intermediate Similarity NPC49647
0.8462 Intermediate Similarity NPC8745
0.8462 Intermediate Similarity NPC290954
0.8462 Intermediate Similarity NPC227741
0.8462 Intermediate Similarity NPC315520
0.8462 Intermediate Similarity NPC255641
0.8462 Intermediate Similarity NPC254492
0.8456 Intermediate Similarity NPC471452
0.845 Intermediate Similarity NPC199273
0.844 Intermediate Similarity NPC285122

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC282923 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
0.9752 High Similarity NPD1470 Approved
0.9421 High Similarity NPD1201 Approved
0.9231 High Similarity NPD1509 Clinical (unspecified phase)
0.877 High Similarity NPD405 Clinical (unspecified phase)
0.8593 High Similarity NPD5408 Approved
0.8593 High Similarity NPD5406 Approved
0.8593 High Similarity NPD5405 Approved
0.8593 High Similarity NPD5404 Approved
0.8392 Intermediate Similarity NPD3226 Approved
0.8298 Intermediate Similarity NPD7390 Discontinued
0.8261 Intermediate Similarity NPD2346 Discontinued
0.8112 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.8088 Intermediate Similarity NPD943 Approved
0.797 Intermediate Similarity NPD1164 Approved
0.781 Intermediate Similarity NPD3764 Approved
0.7786 Intermediate Similarity NPD3019 Approved
0.7742 Intermediate Similarity NPD2342 Discontinued
0.7734 Intermediate Similarity NPD5951 Approved
0.773 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD3300 Phase 2
0.7714 Intermediate Similarity NPD1607 Approved
0.7681 Intermediate Similarity NPD2313 Discontinued
0.7677 Intermediate Similarity NPD6232 Discontinued
0.7676 Intermediate Similarity NPD2935 Discontinued
0.7652 Intermediate Similarity NPD2932 Approved
0.7647 Intermediate Similarity NPD2798 Approved
0.7643 Intermediate Similarity NPD7473 Discontinued
0.7606 Intermediate Similarity NPD1510 Phase 2
0.7606 Intermediate Similarity NPD2799 Discontinued
0.7571 Intermediate Similarity NPD1240 Approved
0.754 Intermediate Similarity NPD9266 Approved
0.754 Intermediate Similarity NPD74 Approved
0.75 Intermediate Similarity NPD2344 Approved
0.7483 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD9493 Approved
0.7466 Intermediate Similarity NPD7003 Approved
0.746 Intermediate Similarity NPD9263 Approved
0.746 Intermediate Similarity NPD9267 Approved
0.746 Intermediate Similarity NPD9264 Approved
0.7451 Intermediate Similarity NPD7819 Suspended
0.7444 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD7635 Approved
0.7389 Intermediate Similarity NPD6959 Discontinued
0.7388 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1471 Phase 3
0.7372 Intermediate Similarity NPD1283 Approved
0.7347 Intermediate Similarity NPD3750 Approved
0.7333 Intermediate Similarity NPD3023 Approved
0.7333 Intermediate Similarity NPD3026 Approved
0.7329 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1549 Phase 2
0.7319 Intermediate Similarity NPD1203 Approved
0.7313 Intermediate Similarity NPD3025 Approved
0.7313 Intermediate Similarity NPD1651 Approved
0.7313 Intermediate Similarity NPD3024 Approved
0.731 Intermediate Similarity NPD1551 Phase 2
0.7303 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD2309 Approved
0.7295 Intermediate Similarity NPD288 Approved
0.7279 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD2534 Approved
0.7267 Intermediate Similarity NPD2532 Approved
0.7267 Intermediate Similarity NPD2533 Approved
0.726 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD844 Approved
0.7212 Intermediate Similarity NPD8312 Approved
0.7212 Intermediate Similarity NPD8313 Approved
0.72 Intermediate Similarity NPD1511 Approved
0.7197 Intermediate Similarity NPD3749 Approved
0.7197 Intermediate Similarity NPD9281 Approved
0.7188 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD8150 Discontinued
0.7183 Intermediate Similarity NPD411 Approved
0.7179 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1281 Approved
0.7143 Intermediate Similarity NPD9261 Approved
0.7143 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1929 Approved
0.7143 Intermediate Similarity NPD1930 Approved
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7134 Intermediate Similarity NPD7768 Phase 2
0.7123 Intermediate Similarity NPD4308 Phase 3
0.7122 Intermediate Similarity NPD1876 Approved
0.7118 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD1512 Approved
0.7101 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD9717 Approved
0.7101 Intermediate Similarity NPD4878 Approved
0.7097 Intermediate Similarity NPD7411 Suspended
0.7087 Intermediate Similarity NPD1237 Approved
0.7078 Intermediate Similarity NPD7458 Discontinued
0.7077 Intermediate Similarity NPD4750 Phase 3
0.7068 Intermediate Similarity NPD497 Approved
0.7063 Intermediate Similarity NPD1932 Approved
0.7051 Intermediate Similarity NPD1934 Approved
0.7034 Intermediate Similarity NPD447 Suspended
0.7027 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD6663 Approved
0.7007 Intermediate Similarity NPD2286 Discontinued
0.7007 Intermediate Similarity NPD4626 Approved
0.7007 Intermediate Similarity NPD3748 Approved
0.7006 Intermediate Similarity NPD2801 Approved
0.7 Intermediate Similarity NPD8166 Discontinued
0.7 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4625 Phase 3
0.6993 Remote Similarity NPD7008 Discontinued
0.6992 Remote Similarity NPD496 Approved
0.6992 Remote Similarity NPD498 Approved
0.6992 Remote Similarity NPD495 Approved
0.6985 Remote Similarity NPD9545 Approved
0.6984 Remote Similarity NPD289 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7075 Discontinued
0.6978 Remote Similarity NPD3972 Approved
0.6978 Remote Similarity NPD1608 Approved
0.6972 Remote Similarity NPD5736 Approved
0.697 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6100 Approved
0.6959 Remote Similarity NPD6099 Approved
0.6959 Remote Similarity NPD2796 Approved
0.6951 Remote Similarity NPD7177 Discontinued
0.6936 Remote Similarity NPD6535 Approved
0.6936 Remote Similarity NPD6534 Approved
0.6933 Remote Similarity NPD2800 Approved
0.6933 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3882 Suspended
0.6911 Remote Similarity NPD845 Approved
0.6909 Remote Similarity NPD5844 Phase 1
0.6909 Remote Similarity NPD6020 Phase 2
0.6905 Remote Similarity NPD3020 Approved
0.6899 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6887 Remote Similarity NPD4628 Phase 3
0.6886 Remote Similarity NPD5029 Approved
0.6886 Remote Similarity NPD5031 Approved
0.6886 Remote Similarity NPD6559 Discontinued
0.6886 Remote Similarity NPD5027 Approved
0.6884 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6883 Remote Similarity NPD6273 Approved
0.6879 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6213 Phase 3
0.6879 Remote Similarity NPD6212 Phase 3
0.687 Remote Similarity NPD2329 Discontinued
0.6861 Remote Similarity NPD3091 Approved
0.6857 Remote Similarity NPD9269 Phase 2
0.6855 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6849 Remote Similarity NPD4307 Phase 2
0.6838 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6836 Remote Similarity NPD6781 Approved
0.6836 Remote Similarity NPD6778 Approved
0.6836 Remote Similarity NPD6776 Approved
0.6836 Remote Similarity NPD6782 Approved
0.6836 Remote Similarity NPD6777 Approved
0.6836 Remote Similarity NPD6780 Approved
0.6836 Remote Similarity NPD6779 Approved
0.6831 Remote Similarity NPD2797 Approved
0.6828 Remote Similarity NPD3268 Approved
0.6818 Remote Similarity NPD3022 Approved
0.6818 Remote Similarity NPD7700 Phase 2
0.6818 Remote Similarity NPD7699 Phase 2
0.6818 Remote Similarity NPD3021 Approved
0.6815 Remote Similarity NPD6599 Discontinued
0.6812 Remote Similarity NPD9268 Approved
0.6809 Remote Similarity NPD1755 Approved
0.6809 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6832 Phase 2
0.6803 Remote Similarity NPD1899 Clinical (unspecified phase)
0.68 Remote Similarity NPD2859 Approved
0.68 Remote Similarity NPD2860 Approved
0.6797 Remote Similarity NPD6884 Clinical (unspecified phase)
0.679 Remote Similarity NPD5494 Approved
0.6786 Remote Similarity NPD3092 Approved
0.6786 Remote Similarity NPD1611 Approved
0.6781 Remote Similarity NPD520 Approved
0.6772 Remote Similarity NPD2066 Phase 3
0.6763 Remote Similarity NPD17 Approved
0.6763 Remote Similarity NPD4059 Approved
0.675 Remote Similarity NPD5402 Approved
0.675 Remote Similarity NPD2296 Approved
0.6746 Remote Similarity NPD5026 Approved
0.6746 Remote Similarity NPD5034 Approved
0.6746 Remote Similarity NPD36 Approved
0.6746 Remote Similarity NPD4955 Approved
0.6746 Remote Similarity NPD5028 Approved
0.6746 Remote Similarity NPD4954 Approved
0.6735 Remote Similarity NPD2979 Phase 3
0.673 Remote Similarity NPD6844 Discontinued
0.673 Remote Similarity NPD6801 Discontinued
0.6727 Remote Similarity NPD6166 Phase 2
0.6727 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6722 Remote Similarity NPD7435 Discontinued
0.6722 Remote Similarity NPD7696 Phase 3

Structure

External Identifiers

PubChem CID   10208
ChEMBL   CHEMBL41092
ZINC  

Physicochemical Properties

Molecular Weight:  254.06
ALogP:  -0.8062
MLogP:  2.67
XLogP:  1.627
# Rotatable Bonds:  3
Polar Surface Area:  74.6
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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