Natural Product: NPC104222

Natural Product ID:  NPC104222
Common Name:   Pentagalloyl Glucose
IUPAC Name:   [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Synonyms:   Pentagalloyl Glucose; Pentagalloylglucose
Molecular Formula:   C41H32O26
Standard InCHIKey:  QJYNZEYHSMRWBK-NIKIMHBISA-N
Standard InCHI:  InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
Canonical SMILES:  O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO7752 Beilschmiedia anacardioides Species Lauraceae Eukaryota UNPD*
NPO22568 Aristolochia elegans Species Aristolochiaceae Eukaryota UNPD*
NPO19259 Agrostis epigeios Species Poaceae Eukaryota UNPD*
NPO1103 Dioscorea japonica Species Dioscoreaceae Eukaryota UNPD*
NPO19095 Strophanthus preussii Species Apocynaceae Eukaryota UNPD*
NPO25909 Leonurus sibiricus Species Lamiaceae Eukaryota UNPD*
NPO8773 Sonchus ortunoi Species Asteraceae Eukaryota UNPD*
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota UNPD*
NPO25381 Litsea rotundifolia Species Lauraceae Eukaryota UNPD*
NPO550 Callicarpa maingayi Species Lamiaceae Eukaryota UNPD*
NPO5301 Haplophyllum ferganicum Species Rutaceae Eukaryota UNPD*
NPO5065 Cladonia fallax Species Cladoniaceae Eukaryota UNPD*
NPO16492 Mentha gattefossei Species Lamiaceae Eukaryota UNPD*
NPO18537 Leontopodium nanum Species Asteraceae Eukaryota UNPD*
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota UNPD*
NPO20842 Beauveria felina Species Cordycipitaceae Eukaryota UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota UNPD*
NPO16414 Thuja plicata Species Cupressaceae Eukaryota UNPD*
NPO23010 Crinum defixum Species Amaryllidaceae Eukaryota UNPD*
NPO27269 Annona impressivenia Species Annonaceae Eukaryota UNPD*
NPO29446 Stevia polycephala Species Asteraceae Eukaryota UNPD*
NPO29225 Oncoba echinata Species Salicaceae Eukaryota UNPD*
NPO6382 Chlorocebus aethiops Species Cercopithecidae Eukaryota UNPD*
NPO28924 Spongilla lacustris Species Spongillidae Eukaryota UNPD*
NPO18142 Elysia ornata Species Placobranchidae Eukaryota UNPD*
NPO12754 Cerinthe minor Species Boraginaceae Eukaryota UNPD*
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota UNPD*
NPO9669 Dictyopteris acrostichoides Species Dictyotaceae Eukaryota UNPD*
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota UNPD*
NPO23953 Zanthoxylum monophyllum Species Rutaceae Eukaryota UNPD*
NPO15448 Chrysothamnus parryi Species Asteraceae Eukaryota UNPD*
NPO17195 Felicia wrightii Species Asteraceae Eukaryota UNPD*
NPO12910 Ixeris stolonifera Species Asteraceae Eukaryota UNPD*
NPO29466 Triglochin maritima Species Juncaginaceae Eukaryota UNPD*
NPO17247 Actinoplanes friuliensis Species Micromonosporaceae Bacteria UNPD*
NPO29452 Plantago indica Species Plantaginaceae Eukaryota UNPD*
NPO22121 Piper arboreum Species Piperaceae Eukaryota UNPD*
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota UNPD*
NPO28847 Plectranthus fruticosus Species Lamiaceae Eukaryota UNPD*
NPO6179 Aframomum amaniense Species Zingiberaceae Eukaryota UNPD*
NPO2130 Ehretia dicksonii Species Ehretiaceae Eukaryota UNPD*
NPO12088 Conyza canadensis Species Asteraceae Eukaryota UNPD*
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota UNPD*
NPO29344 Parabenzoin trilobum NA NA NA UNPD*
NPO13504 Lotus japonicus Species Fabaceae Eukaryota UNPD*
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota UNPD*
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota UNPD*
NPO21991 Modiolus demissus Species Mytilidae Eukaryota UNPD*
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota UNPD*
NPO29276 Juglans nigra Species Juglandaceae Eukaryota UNPD*
NPO18584 Streptoalloteichus hindustanus Species Pseudonocardiaceae Bacteria UNPD*
NPO28898 Grewia mollis Species Malvaceae Eukaryota UNPD*
NPO21473 Urtica triangularis Species Urticaceae Eukaryota UNPD*
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota UNPD*
NPO4244 Doodia picta Species Blechnaceae Eukaryota UNPD*
NPO29030 Zanthoxylum americanum Species Rutaceae Eukaryota UNPD*
NPO13823 Hypericum mysorense Species Hypericaceae Eukaryota UNPD*
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria UNPD*
NPO20146 Cladiella krempfi Species Alcyoniidae Eukaryota UNPD*
NPO20779 Garcinia hombroniana Species Clusiaceae Eukaryota UNPD*
NPO20652 Phytolacca acinosa Species Phytolaccaceae Eukaryota UNPD*
NPO13907 Senecio renardii Species Asteraceae Eukaryota UNPD*
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota UNPD*
NPO12234 Khaya ivorensis Species Meliaceae Eukaryota UNPD*
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota UNPD*
NPO3458 Lupinus verbasciformis Species Fabaceae Eukaryota UNPD*
NPO33051 mango tree NA NA NA Stem barks PMID[24613627]
NPO17566 Magnolia biloba Species Magnoliaceae Eukaryota UNPD*
NPO22624 Clematis tangutica Species Ranunculaceae Eukaryota UNPD*
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota UNPD*
NPO22635 Penstemon secundiflorus Species Plantaginaceae Eukaryota UNPD*
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota UNPD*
NPO24559 Cotinus coggygria Species Anacardiaceae Eukaryota Whole plant PMID[11141121]
NPO5731 Euphorbia humifusa Species Euphorbiaceae Eukaryota UNPD*
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota UNPD*
NPO25715 Senna siamea Species Fabaceae Eukaryota UNPD*
NPO2723 Artemisia carvifolia Species Asteraceae Eukaryota UNPD*
NPO22976 Ruta microcarpa Species Rutaceae Eukaryota UNPD*
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota UNPD*
NPO21498 Coccus ilicis Species Coccidae Eukaryota UNPD*
NPO5541 Crotalaria aegyptiaca Species Fabaceae Eukaryota UNPD*
NPO6774 Khaya senegalensis Species Meliaceae Eukaryota UNPD*
NPO12061 Justicia paniculata Species Acanthaceae Eukaryota UNPD*
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota UNPD*
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota UNPD*
NPO20209 Dorstenia lindeniana Species Moraceae Eukaryota UNPD*
NPO17726 Helichrysum cymosum Species Asteraceae Eukaryota UNPD*
NPO1290 Trilisa odoratissima Species Asteraceae Eukaryota UNPD*
NPO1661 Bartramia pomiformis Species Bartramiaceae Eukaryota UNPD*
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota UNPD*
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota UNPD*
NPO22763 Cuphea carthagenensis Species Lythraceae Eukaryota UNPD*
NPO22829 Ozoroa insignis Species Anacardiaceae Eukaryota UNPD*
NPO29533 Argusia argentea Species Heliotropiaceae Eukaryota UNPD*
NPO2174 Polysiphonia elongata Species Rhodomelaceae Eukaryota UNPD*
NPO13355 Selinum carvifolium Species Apiaceae Eukaryota UNPD*
NPO21603 Eskemukerjea megacarpum NA NA NA UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota UNPD*
NPO21730 Pouzolzia occidentalis Species Urticaceae Eukaryota UNPD*
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota UNPD*
NPO14200 Aristolochia zollingeriana Species Aristolochiaceae Eukaryota UNPD*
NPO25023 Lactarius camphoratus Species Russulaceae Eukaryota UNPD*
NPO18680 Larix decidua Species Pinaceae Eukaryota UNPD*
NPO8909 Pteris radiata Species Pteridaceae Eukaryota UNPD*
NPO8621 Cylindrospermopsis raciborskii Species Aphanizomenonaceae Bacteria UNPD*
NPO26170 Haliclona mucosa Species Chalinidae Eukaryota UNPD*
NPO19899 Crepis foetida Species Asteraceae Eukaryota UNPD*
NPO28828 Rana arvalis Species Ranidae Eukaryota UNPD*
NPO5842 Annulohypoxylon truncatum Species Xylariaceae Eukaryota UNPD*
NPO14504 Alectoria divergens Species Parmeliaceae Eukaryota UNPD*
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota UNPD*
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota UNPD*
NPO28785 Lumbricus terrestris Species Lumbricidae Eukaryota UNPD*
NPO28912 Astragalus gummifer Species Fabaceae Eukaryota UNPD*
NPO2780 Brenneria rubrifaciens Species Pectobacteriaceae Bacteria UNPD*
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota UNPD*
NPO9157 Rubrivivax gelatinosus Species NA Bacteria UNPD*
NPO12069 Isaria felina Species Cordycipitaceae Eukaryota UNPD*
NPO2179 Paeoniae radix alba NA NA NA TCMSP*
NPO6395 Phedimus kamtschaticus Species Crassulaceae Eukaryota UNPD*
NPO12414 Penicillium paxilli Species Aspergillaceae Eukaryota UNPD*
NPO21227 Aglaia elaeagnoidea Species Meliaceae Eukaryota UNPD*
NPO9973 Euphorbia turczaninowii Species Euphorbiaceae Eukaryota UNPD*
NPO21458 Radix paeoniae rubra Species Lymnaeidae Eukaryota TCMSP*
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota UNPD*
NPO11882 Cedrus libani Species Pinaceae Eukaryota UNPD*
NPO2922 Botryosphaeria berengeriana Species Botryosphaeriaceae Eukaryota UNPD*
NPO22893 Apterostigma dentigerum Species Formicidae Eukaryota UNPD*
NPO29669 Phyllanthi fructus NA NA NA TCMSP*
NPO7169 Nama hispidum Species Namaceae Eukaryota UNPD*
NPO22509 Syncolostemon parviflorus Species Lamiaceae Eukaryota UNPD*
NPO20096 Cirsium japonicum Species Asteraceae Eukaryota UNPD*
NPO762 Digitalis isabelliana Species Plantaginaceae Eukaryota UNPD*
NPO20511 Chebulae fructus NA NA NA TCMSP*
NPO22250 Parastrephia lepidophylla Species Asteraceae Eukaryota UNPD*
NPO13076 Cephalaria grossheimii Species Caprifoliaceae Eukaryota UNPD*
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota UNPD*
NPO9734 Vincetoxicum hirundinaria Species Apocynaceae Eukaryota UNPD*
NPO29612 Juglandis semen NA NA NA TCMSP*
NPO13701 Melaleuca rhaphiophylla Species Myrtaceae Eukaryota UNPD*
NPO10865 Sextonia rubra Species Lauraceae Eukaryota UNPD*
NPO7013 Dicoma capensis Species Asteraceae Eukaryota UNPD*
NPO22315 Phlogacanthus thyrsiflorus Species Acanthaceae Eukaryota UNPD*
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota UNPD*
NPO24892 Cortex moutan NA NA NA TCMSP*
NPO14089 Hypericum ascyron Species Hypericaceae Eukaryota UNPD*
NPO3119 Cephalaria uralensis Species Caprifoliaceae Eukaryota UNPD*
NPO8437 Encyothalia cliftonii Species Sporochnaceae Eukaryota UNPD*
NPO29068 Papilio phorcas Species Papilionidae Eukaryota UNPD*
NPO10012 Triaenophora rupestris Species Orobanchaceae Eukaryota UNPD*
NPO7625 Scopolia hladnikiana Species Solanaceae Eukaryota UNPD*
NPO6039 Aglaia laxiflora Species Meliaceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TM-MC*
NPO29145 Carya tonkinensis Species Juglandaceae Eukaryota UNPD*
NPO18408 Litsea lancifolia Species Lauraceae Eukaryota UNPD*
NPO12585 Craspidospermum verticillatum Species Apocynaceae Eukaryota UNPD*
NPO24360 Centaurea squarrosa Species Asteraceae Eukaryota UNPD*
NPO12362 Coreopsis fasciculata Species Asteraceae Eukaryota UNPD*
NPO22052 Aspergillus candidus Species Aspergillaceae Eukaryota UNPD*
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota UNPD*
NPO21859 Centaurea nigrescens Species Asteraceae Eukaryota UNPD*
NPO20332 Dioscoreophyllum cumminsii Species Menispermaceae Eukaryota UNPD*
NPO4073 Geranium sylvaticum Species Geraniaceae Eukaryota UNPD*
NPO28805 Thymus piperella Species Lamiaceae Eukaryota UNPD*
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota UNPD*
NPO21096 Cardiospermum halicacabum Species Sapindaceae Eukaryota UNPD*
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota TM-MC*
NPO20972 Oscillatoria princeps Species Oscillatoriaceae Bacteria UNPD*
NPO23759 Litsea zeylanica Species Lauraceae Eukaryota UNPD*
NPO18775 Cratena peregrina Species Facelinidae Eukaryota UNPD*
NPO22381 Euphorbia segetalis Species Euphorbiaceae Eukaryota UNPD*
NPO21420 Phormia regina Species Calliphoridae Eukaryota UNPD*
NPO22550 Paeonia suffruticosa Species Paeoniaceae Eukaryota TM-MC*
NPO3199 Balanophora involucrata Species Balanophoraceae Eukaryota UNPD*
NPO28867 Holocarpha obconica Species Asteraceae Eukaryota UNPD*
NPO7381 Ircinia spinosula Species Irciniidae Eukaryota UNPD*
NPO21349 Punica granatum Species Lythraceae Eukaryota UNPD*
NPO10389 Larix cajanderi Species Pinaceae Eukaryota UNPD*
NPO4916 Toxicodendron vernicifluum Species Anacardiaceae Eukaryota TM-MC*
NPO2359 Cynoglossum germanicum Species Boraginaceae Eukaryota UNPD*
NPO19558 Meryta lanceolata Species Araliaceae Eukaryota UNPD*
NPO18827 Aspidosperma olivaceum Species Apocynaceae Eukaryota UNPD*
NPO14615 Streptomyces paulus Species Streptomycetaceae Bacteria UNPD*
NPO9207 Styrax ferrugineus Species Styracaceae Eukaryota UNPD*
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota UNPD*
NPO22447 Sidastrum acuminatum Species Malvaceae Eukaryota UNPD*
NPO21282 Aplidium orthium Species Polyclinidae Eukaryota UNPD*
NPO19521 Inella verrucosa NA NA NA UNPD*
NPO14289 Pieris napi Species Pieridae Eukaryota UNPD*
NPO29004 Ruta pinnata Species Rutaceae Eukaryota UNPD*
NPO11222 Rubus alceifolius Species Rosaceae Eukaryota TCMID*
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota UNPD*
NPO25774 Virola multinervia Species Myristicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 45000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 18000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Therapeutic index = 2.5 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 65 % 10.1016/S0960-894X(00)80422-9
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 Inhibition = 0 % 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 19000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 15000 nM 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Therapeutic index = 1.3 10.1016/S0960-894X(00)80422-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition = 60 % 10.1016/S0960-894X(00)80422-9
NPT459 Individual Protein Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 Inhibition = 2 % 10.1016/S0960-894X(00)80422-9
NPT316 Protein Family Protein kinase C (PKC) Homo sapiens IC50 = 4000 nM 10.1016/S0960-894X(01)81072-6
NPT2938 Individual Protein Hepatitis C virus NS3 protease/helicase Hepatitis C virus IC50 = 1600 nM 15546725
NPT520 Cell Line 3T3-L1 Mus musculus Activity = 107 Bq 16640344
NPT2 Others Unspecified IC50 = 2.8 ug/ml 12502337
NPT20 Organism Candida albicans Candida albicans IC50 > 50 ug/ml 12502337
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans IC50 > 50 ug/ml 12502337
NPT326 Individual Protein Squalene monooxygenase Rattus norvegicus IC50 = 470 nM 11520216
NPT672 Cell Line TE-671 Homo sapiens ED50 > 10 ug/ml 1431932
NPT180 Cell Line HCT-8 Homo sapiens ED50 > 10 ug/ml 1431932
NPT81 Cell Line A549 Homo sapiens ED50 > 10 ug/ml 1431932
NPT91 Cell Line KB Homo sapiens ED50 > 10 ug/ml 1431932
NPT2 Others Unspecified ED50 = 5.01 ug/ml 1431932
NPT2 Others Unspecified Ratio Ki = 1.2 9834152
NPT2533 Individual Protein Coagulation factor X Homo sapiens IC50 = 170 nM 9834152
NPT2533 Individual Protein Coagulation factor X Homo sapiens Ki = 570 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus IC50 = 50 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus IC50 = 110 nM 9834152
NPT2534 Individual Protein Thrombin Bos taurus Ki = 3900 nM 9834152
NPT2 Others Unspecified Activity = 62 % 2413172
NPT2 Others Unspecified Activity = 80 % 2413172
NPT2 Others Unspecified Activity = 7 % 2413172
NPT2 Others Unspecified Activity = 25 % 2413172
NPT2 Others Unspecified Activity = 30 % 2413172
NPT2 Others Unspecified Activity = 39 % 2413172
NPT23 Individual Protein Integrase Human immunodeficiency virus 1 IC50 = 28 ug/ml 9461665
NPT2 Others Unspecified Activity = 67 % 2413172
NPT2 Others Unspecified Activity = 44 % 2413172
NPT2 Others Unspecified Activity = 27 % 2413172
NPT2 Others Unspecified Activity = 15 % 2413172
NPT1310 Individual Protein Xanthine dehydrogenase Bos taurus Activity = 2.12 10'-6M 2723668
NPT1310 Individual Protein Xanthine dehydrogenase Bos taurus IC50 = 3200 nM 2723668
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -7.1 mmHg 10.1021/np50094a030
NPT1 Others Radical scavenging activity IC50 = 12.6 ug/ml 11141121
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 72.3 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 28.9 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 4.2 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 40.7 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 22.8 % 20144544
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 5 % 20144544
NPT1 Others Radical scavenging activity EC50 = 23.8 ug 22216935
NPT2 Others Unspecified EC50 = 54.8 ug 22216935
NPT2 Others Unspecified EC50 = 2403.9 ug 22216935
NPT139 Cell Line HT-29 Homo sapiens IC50 = 28 ug/ml 22216935
NPT2 Others Unspecified IC50 = 23 ug/ml 22216935
NPT139 Cell Line HT-29 Homo sapiens IC50 = 34 ug/ml 22216935
NPT139 Cell Line HT-29 Homo sapiens Activity = 8 % 22216935
NPT139 Cell Line HT-29 Homo sapiens Activity = 11 % 22216935
NPT139 Cell Line HT-29 Homo sapiens Activity = 5 % 22216935
NPT368 Cell Line SN12C Homo sapiens GI50 11885.02 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 3890.45 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 2162.72 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 5794.29 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 5584.7 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 3647.54 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 2488.86 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 11271.97 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 6324.12 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 47206.3 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 3784.43 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 2999.16 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 3890.45 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 5333.35 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 7943.28 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 5223.96 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 4875.28 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 1458.81 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 4875.28 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 4130.48 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 5997.91 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 9141.13 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 3459.39 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 2338.84 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 7227.7 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 4852.89 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 5296.63 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 2760.58 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 8912.51 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 1721.87 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 10690.55 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 3539.97 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 4265.8 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 3213.66 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 5211.95 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 5105.05 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 4570.88 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 6039.49 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 11350.11 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 4207.27 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 6165.95 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 3265.88 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 2259.44 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 7673.61 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 5727.96 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 3917.42 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 14893.61 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 4988.84 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 9506.05 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 3326.6 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 6998.42 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 1492.79 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 15310.87 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 6918.31 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 7726.81 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 4977.37 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 390 nM 10.1007/s00044-010-9461-8
NPT2 Others Unspecified IC50 = 820 nM 23394144
NPT2 Others Unspecified IC50 = 300 nM 23394144
NPT3084 Individual Protein Neuraminidase Influenza A virus Inhibition = 84.1 % 24613627
NPT3084 Individual Protein Neuraminidase Influenza A virus IC50 = 11900 nM 24613627
NPT2 Others Unspecified Inhibition = 100 % 24613627
NPT2 Others Unspecified IC50 = 1100 nM 24613627
NPT65 Cell Line HepG2 Homo sapiens IC50 = 92400 nM 24613627
NPT165 Cell Line HeLa Homo sapiens IC50 = 356300 nM 24613627
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 3760 nM 24835197
NPT740 Individual Protein Beta-secretase 1 Homo sapiens Ki = 5130 nM 24835197
NPT1580 Individual Protein Salivary alpha-amylase Homo sapiens IC50 = 2350 nM 26395057
NPT1580 Individual Protein Salivary alpha-amylase Homo sapiens Ki = 2600 nM 26395057

  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 NPC104222 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 NPC114791
1.0 High Similarity NPC141331
1.0 High Similarity NPC210501
1.0 High Similarity NPC318826
0.9801 High Similarity NPC172419
0.9801 High Similarity NPC238419
0.9735 High Similarity NPC239019
0.9735 High Similarity NPC247629
0.9536 High Similarity NPC44260
0.9536 High Similarity NPC3746
0.9536 High Similarity NPC205037
0.9536 High Similarity NPC61152
0.9536 High Similarity NPC16024
0.9494 High Similarity NPC149300
0.943 High Similarity NPC43918
0.943 High Similarity NPC190204
0.943 High Similarity NPC261411
0.9313 High Similarity NPC47521
0.9308 High Similarity NPC470271
0.9308 High Similarity NPC311389
0.9272 High Similarity NPC92117
0.925 High Similarity NPC198125
0.925 High Similarity NPC95421
0.9245 High Similarity NPC175793
0.9226 High Similarity NPC134925
0.9205 High Similarity NPC142528
0.9205 High Similarity NPC120621
0.9205 High Similarity NPC248257
0.9193 High Similarity NPC470272
0.915 High Similarity NPC140151
0.913 High Similarity NPC658
0.913 High Similarity NPC197708
0.9068 High Similarity NPC31034
0.9057 High Similarity NPC14030
0.9057 High Similarity NPC291957
0.9051 High Similarity NPC289346
0.9026 High Similarity NPC252979
0.9018 High Similarity NPC102851
0.9018 High Similarity NPC5786
0.9007 High Similarity NPC108455
0.9 High Similarity NPC470898
0.897 High Similarity NPC472723
0.894 High Similarity NPC229036
0.894 High Similarity NPC22176
0.894 High Similarity NPC190587
0.894 High Similarity NPC226738
0.894 High Similarity NPC121573
0.8938 High Similarity NPC90905
0.8938 High Similarity NPC285108
0.8938 High Similarity NPC4013
0.8938 High Similarity NPC33298
0.8922 High Similarity NPC8940
0.8896 High Similarity NPC75945
0.8862 High Similarity NPC80956
0.8834 High Similarity NPC217781
0.8834 High Similarity NPC473818
0.8824 High Similarity NPC260521
0.8824 High Similarity NPC65489
0.8824 High Similarity NPC469649
0.8805 High Similarity NPC1913
0.8805 High Similarity NPC472860
0.8797 High Similarity NPC172920
0.8797 High Similarity NPC156624
0.8788 High Similarity NPC100251
0.8782 High Similarity NPC477334
0.8773 High Similarity NPC26536
0.8773 High Similarity NPC49983
0.8773 High Similarity NPC142707
0.8773 High Similarity NPC317671
0.8772 High Similarity NPC158214
0.8772 High Similarity NPC240200
0.8772 High Similarity NPC290289
0.8772 High Similarity NPC223534
0.8757 High Similarity NPC135831
0.8757 High Similarity NPC297503
0.8757 High Similarity NPC97119
0.875 High Similarity NPC471030
0.875 High Similarity NPC287872
0.875 High Similarity NPC74319
0.875 High Similarity NPC160780
0.875 High Similarity NPC289811
0.8735 High Similarity NPC98583
0.8721 High Similarity NPC31208
0.8721 High Similarity NPC93065
0.8721 High Similarity NPC472724
0.8721 High Similarity NPC472720
0.8721 High Similarity NPC469652
0.8721 High Similarity NPC160543
0.8721 High Similarity NPC187632
0.8721 High Similarity NPC472721
0.8713 High Similarity NPC475179
0.8712 High Similarity NPC166851
0.8712 High Similarity NPC162169
0.871 High Similarity NPC43123
0.8706 High Similarity NPC231254
0.8696 High Similarity NPC119125
0.8696 High Similarity NPC203020
0.8696 High Similarity NPC476373
0.8696 High Similarity NPC166277
0.8696 High Similarity NPC239966
0.8688 High Similarity NPC4747
0.8688 High Similarity NPC104275
0.8688 High Similarity NPC133984
0.8679 High Similarity NPC203757
0.8675 High Similarity NPC75763
0.8675 High Similarity NPC225036
0.8675 High Similarity NPC65333
0.8675 High Similarity NPC12218
0.8675 High Similarity NPC105525
0.8671 High Similarity NPC97924
0.8671 High Similarity NPC40078
0.8671 High Similarity NPC471091
0.8663 High Similarity NPC142291
0.8663 High Similarity NPC7839
0.8655 High Similarity NPC104910
0.8655 High Similarity NPC111490
0.8655 High Similarity NPC474093
0.8655 High Similarity NPC261623
0.8655 High Similarity NPC469650
0.8654 High Similarity NPC42464
0.865 High Similarity NPC227297
0.865 High Similarity NPC121290
0.865 High Similarity NPC469651
0.8642 High Similarity NPC311803
0.8642 High Similarity NPC472859
0.8642 High Similarity NPC25389
0.8639 High Similarity NPC198902
0.8631 High Similarity NPC67629
0.8631 High Similarity NPC297574
0.8631 High Similarity NPC79736
0.8625 High Similarity NPC291948
0.8625 High Similarity NPC250436
0.8625 High Similarity NPC104983
0.8625 High Similarity NPC300845
0.8625 High Similarity NPC88803
0.8623 High Similarity NPC163165
0.8623 High Similarity NPC172033
0.8623 High Similarity NPC88560
0.8623 High Similarity NPC175230
0.8614 High Similarity NPC149011
0.8614 High Similarity NPC204937
0.8605 High Similarity NPC97817
0.8605 High Similarity NPC30011
0.8605 High Similarity NPC72554
0.8599 High Similarity NPC306343
0.8589 High Similarity NPC476372
0.8589 High Similarity NPC476371
0.8589 High Similarity NPC246024
0.8588 High Similarity NPC469371
0.8581 High Similarity NPC473867
0.858 High Similarity NPC253521
0.858 High Similarity NPC267549
0.858 High Similarity NPC113836
0.858 High Similarity NPC258044
0.858 High Similarity NPC293626
0.858 High Similarity NPC267680
0.858 High Similarity NPC217387
0.858 High Similarity NPC37668
0.858 High Similarity NPC196127
0.8571 High Similarity NPC289322
0.8571 High Similarity NPC68324
0.8571 High Similarity NPC38779
0.8571 High Similarity NPC135222
0.8571 High Similarity NPC474010
0.8571 High Similarity NPC476358
0.8571 High Similarity NPC114179
0.8571 High Similarity NPC187205
0.8571 High Similarity NPC156818
0.8571 High Similarity NPC160512
0.8571 High Similarity NPC49173
0.8563 High Similarity NPC264302
0.8563 High Similarity NPC47140
0.8563 High Similarity NPC67134
0.8555 High Similarity NPC173872
0.8555 High Similarity NPC269046
0.8555 High Similarity NPC119094
0.8553 High Similarity NPC87403
0.8553 High Similarity NPC105827
0.8553 High Similarity NPC310661
0.8538 High Similarity NPC162394
0.8538 High Similarity NPC35924
0.8538 High Similarity NPC123259
0.8538 High Similarity NPC156785
0.8538 High Similarity NPC199172
0.8538 High Similarity NPC129533
0.8538 High Similarity NPC241781
0.8538 High Similarity NPC470718
0.8528 High Similarity NPC266365
0.8521 High Similarity NPC144097
0.8521 High Similarity NPC472991
0.8521 High Similarity NPC472992
0.8521 High Similarity NPC61904
0.8519 High Similarity NPC87317
0.8516 High Similarity NPC477333
0.8512 High Similarity NPC472993
0.8509 High Similarity NPC318432
0.8506 High Similarity NPC201814
0.8503 High Similarity NPC476365
0.85 High Similarity NPC327032
0.85 High Similarity NPC191046

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC104222 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
0.8625 High Similarity NPD4868 Clinical (unspecified phase)
0.8563 High Similarity NPD7993 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD7472 Approved
0.8278 Intermediate Similarity NPD230 Phase 1
0.8225 Intermediate Similarity NPD7054 Approved
0.8187 Intermediate Similarity NPD7251 Discontinued
0.8176 Intermediate Similarity NPD7074 Phase 3
0.8153 Intermediate Similarity NPD6190 Approved
0.814 Intermediate Similarity NPD7808 Phase 3
0.814 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD6797 Phase 2
0.8129 Intermediate Similarity NPD7266 Discontinued
0.8081 Intermediate Similarity NPD7685 Pre-registration
0.8059 Intermediate Similarity NPD3818 Discontinued
0.7953 Intermediate Similarity NPD7228 Approved
0.7904 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7886 Intermediate Similarity NPD8312 Approved
0.7886 Intermediate Similarity NPD8313 Approved
0.7865 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD6166 Phase 2
0.7836 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD6234 Discontinued
0.7725 Intermediate Similarity NPD1465 Phase 2
0.7725 Intermediate Similarity NPD8455 Phase 2
0.7725 Intermediate Similarity NPD8151 Discontinued
0.7701 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD9269 Phase 2
0.7665 Intermediate Similarity NPD1934 Approved
0.7636 Intermediate Similarity NPD1653 Approved
0.7619 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD5844 Phase 1
0.7571 Intermediate Similarity NPD7240 Approved
0.756 Intermediate Similarity NPD37 Approved
0.7545 Intermediate Similarity NPD4380 Phase 2
0.7529 Intermediate Similarity NPD4967 Phase 2
0.7529 Intermediate Similarity NPD4966 Approved
0.7529 Intermediate Similarity NPD4965 Approved
0.7515 Intermediate Similarity NPD2801 Approved
0.7514 Intermediate Similarity NPD6232 Discontinued
0.7486 Intermediate Similarity NPD7473 Discontinued
0.7485 Intermediate Similarity NPD7075 Discontinued
0.7472 Intermediate Similarity NPD6559 Discontinued
0.7471 Intermediate Similarity NPD3817 Phase 2
0.7429 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD3882 Suspended
0.7423 Intermediate Similarity NPD8166 Discontinued
0.74 Intermediate Similarity NPD9268 Approved
0.7394 Intermediate Similarity NPD1511 Approved
0.7356 Intermediate Similarity NPD7199 Phase 2
0.7356 Intermediate Similarity NPD6959 Discontinued
0.7326 Intermediate Similarity NPD7768 Phase 2
0.731 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7819 Suspended
0.7305 Intermediate Similarity NPD1512 Approved
0.7296 Intermediate Similarity NPD943 Approved
0.7294 Intermediate Similarity NPD7411 Suspended
0.7278 Intermediate Similarity NPD7458 Discontinued
0.7273 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5402 Approved
0.7267 Intermediate Similarity NPD5353 Approved
0.724 Intermediate Similarity NPD8320 Phase 1
0.724 Intermediate Similarity NPD8319 Approved
0.7196 Intermediate Similarity NPD7700 Phase 2
0.7196 Intermediate Similarity NPD7699 Phase 2
0.7188 Intermediate Similarity NPD7680 Approved
0.7188 Intermediate Similarity NPD7435 Discontinued
0.7186 Intermediate Similarity NPD7390 Discontinued
0.7174 Intermediate Similarity NPD8150 Discontinued
0.717 Intermediate Similarity NPD3764 Approved
0.7158 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD3751 Discontinued
0.715 Intermediate Similarity NPD7871 Phase 2
0.715 Intermediate Similarity NPD7870 Phase 2
0.7128 Intermediate Similarity NPD6535 Approved
0.7128 Intermediate Similarity NPD6534 Approved
0.7119 Intermediate Similarity NPD3787 Discontinued
0.7108 Intermediate Similarity NPD4628 Phase 3
0.7105 Intermediate Similarity NPD9545 Approved
0.7102 Intermediate Similarity NPD5494 Approved
0.7091 Intermediate Similarity NPD1549 Phase 2
0.7086 Intermediate Similarity NPD3749 Approved
0.7083 Intermediate Similarity NPD6799 Approved
0.7059 Intermediate Similarity NPD5403 Approved
0.7056 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7874 Approved
0.7052 Intermediate Similarity NPD6801 Discontinued
0.7041 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6781 Approved
0.7031 Intermediate Similarity NPD6780 Approved
0.7031 Intermediate Similarity NPD6776 Approved
0.7031 Intermediate Similarity NPD6777 Approved
0.7031 Intermediate Similarity NPD6779 Approved
0.7031 Intermediate Similarity NPD6778 Approved
0.7031 Intermediate Similarity NPD6782 Approved
0.703 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7783 Phase 2
0.702 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD1510 Phase 2
0.701 Intermediate Similarity NPD7698 Approved
0.701 Intermediate Similarity NPD7696 Phase 3
0.701 Intermediate Similarity NPD7697 Approved
0.7006 Intermediate Similarity NPD3750 Approved
0.7 Intermediate Similarity NPD3027 Phase 3
0.6988 Remote Similarity NPD970 Clinical (unspecified phase)
0.6981 Remote Similarity NPD9494 Approved
0.6977 Remote Similarity NPD3455 Phase 2
0.6975 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1613 Approved
0.6973 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7701 Phase 2
0.6946 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5401 Approved
0.6941 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6909 Remote Similarity NPD651 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6385 Approved
0.6897 Remote Similarity NPD6386 Approved
0.6895 Remote Similarity NPD6212 Phase 3
0.6895 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6895 Remote Similarity NPD6213 Phase 3
0.6889 Remote Similarity NPD5242 Approved
0.6878 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6872 Remote Similarity NPD6823 Phase 2
0.6867 Remote Similarity NPD5404 Approved
0.6867 Remote Similarity NPD5406 Approved
0.6867 Remote Similarity NPD5408 Approved
0.6867 Remote Similarity NPD5405 Approved
0.6867 Remote Similarity NPD1551 Phase 2
0.685 Remote Similarity NPD7801 Approved
0.6842 Remote Similarity NPD2532 Approved
0.6842 Remote Similarity NPD2534 Approved
0.6842 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2533 Approved
0.6842 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6599 Discontinued
0.6832 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1933 Approved
0.6784 Remote Similarity NPD7585 Approved
0.6778 Remote Similarity NPD8127 Discontinued
0.6768 Remote Similarity NPD1240 Approved
0.6766 Remote Similarity NPD2796 Approved
0.6766 Remote Similarity NPD2935 Discontinued
0.6747 Remote Similarity NPD7097 Phase 1
0.6734 Remote Similarity NPD7583 Approved
0.673 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6727 Remote Similarity NPD447 Suspended
0.672 Remote Similarity NPD8434 Phase 2
0.6707 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6233 Phase 2
0.6707 Remote Similarity NPD3748 Approved
0.6706 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6701 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6687 Remote Similarity NPD1607 Approved
0.6686 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7211 Clinical (unspecified phase)
0.665 Remote Similarity NPD7584 Approved
0.6647 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6631 Remote Similarity NPD7038 Approved
0.6631 Remote Similarity NPD7039 Approved
0.6612 Remote Similarity NPD3926 Phase 2
0.6608 Remote Similarity NPD7003 Approved
0.6575 Remote Similarity NPD919 Approved
0.6559 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7229 Phase 3
0.655 Remote Similarity NPD6674 Discontinued
0.6545 Remote Similarity NPD6798 Discontinued
0.6532 Remote Similarity NPD7440 Discontinued
0.6524 Remote Similarity NPD4908 Phase 1
0.6519 Remote Similarity NPD6971 Discontinued
0.6517 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6273 Approved
0.6508 Remote Similarity NPD7549 Discontinued
0.6505 Remote Similarity NPD7799 Discontinued
0.65 Remote Similarity NPD1091 Approved
0.6497 Remote Similarity NPD3226 Approved
0.6494 Remote Similarity NPD4357 Discontinued
0.649 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5953 Discontinued
0.6485 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6099 Approved
0.6471 Remote Similarity NPD6100 Approved
0.6471 Remote Similarity NPD7286 Phase 2
0.6467 Remote Similarity NPD5711 Approved
0.6467 Remote Similarity NPD5710 Approved
0.6467 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6455 Remote Similarity NPD8368 Discontinued
0.6446 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6442 Remote Similarity NPD1203 Approved
0.6436 Remote Similarity NPD7999 Approved
0.6433 Remote Similarity NPD9493 Approved
0.6432 Remote Similarity NPD8486 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   65238
ChEMBL   CHEMBL382408
ZINC  

Physicochemical Properties

Molecular Weight:  940.12
ALogP:  -7.5719
MLogP:  3.11
XLogP:  0.697
# Rotatable Bonds:  31
Polar Surface Area:  444.18
# H-Bond Aceptor:  11
# H-Bond Donor:  15
# Rings:  6
# Heavy Atoms:  67

Download Data

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