Natural Product: NPC18335

Natural Product ID:  NPC18335
Common Name:   Adenine
IUPAC Name:   7H-purin-6-amine
Synonyms:   Adenine
Molecular Formula:   C5H5N5
Standard InCHIKey:  GFFGJBXGBJISGV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Canonical SMILES:  Nc1nc[nH]c2c1ncn2
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
NPO12773 Stephania tetrandra Species Menispermaceae Eukaryota TM-MC*
NPO14454 Plectranthus lanuginosus Species Lamiaceae Eukaryota UNPD*
NPO30607 Coprinus atramentarius Species Agaricaceae Eukaryota TCM_Taiwan*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO10008 Tinospora capillipes Species Menispermaceae Eukaryota TM-MC*
NPO8556 Eucalyptus kitsoniana Species Myrtaceae Eukaryota UNPD*
NPO30645 Poria cocos Species Coriolaceae Eukaryota TCM_Taiwan*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO25734 Paratinospora sagittata Species Menispermaceae Eukaryota TM-MC*
NPO4706 Streptomyces vinaceusdrappus Species Streptomycetaceae Bacteria UNPD*
NPO30745 Chrysanthemum morifolium Species Asteraceae Eukaryota TCM_Taiwan*
NPO29542 Lobeliae chinensis herba NA NA NA TCMSP*
NPO523 Tussilago farfara Species Asteraceae Eukaryota TM-MC*
NPO15806 Rhododendron campylocarpum Species Ericaceae Eukaryota UNPD*
NPO3477 Plantago asiatica Species Plantaginaceae Eukaryota TCM_Taiwan*
NPO10515 Angelicae sinensis radix NA NA NA TCMSP*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO9822 Typha angustifolia Species Typhaceae Eukaryota TM-MC*
NPO874 Narthecium asiaticum Species Nartheciaceae Eukaryota UNPD*
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TCM_Taiwan*
NPO5082 Cycas revoluta Species Cycadaceae Eukaryota TCM_Taiwan*
NPO29560 Carthami flos NA NA NA TCMSP*
NPO28251 Typha orientalis Species Typhaceae Eukaryota TM-MC*
NPO962 Vernonanthura pinguis Species Asteraceae Eukaryota UNPD*
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO28204 Arisaema amurense Species Araceae Eukaryota TM-MC*
NPO16076 Penicillium chrysogenum Species Aspergillaceae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO7098 Phebalium ambiens Species Rutaceae Eukaryota UNPD*
NPO7732 Solanum melongena Species Solanaceae Eukaryota TCM_Taiwan*
NPO5621 Arisaema erubescens Species Araceae Eukaryota TM-MC*
NPO11243 Exochorda giraldii Species Rosaceae Eukaryota UNPD*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO13225 Spergula japonica Species Caryophyllaceae Eukaryota UNPD*
NPO8918 Plantago depressa Species Plantaginaceae Eukaryota TCM_Taiwan*
NPO24715 Arisaema heterophyllum Species Araceae Eukaryota TM-MC*
NPO5995 Spartium junceum Species Fabaceae Eukaryota UNPD*
NPO1384 Cucumis myriocarpus Species Cucurbitaceae Eukaryota UNPD*
NPO4000 Archidendron lucidum Species Fabaceae Eukaryota UNPD*
NPO21851 Chaetomella raphigera Species Chaetomellaceae Eukaryota UNPD*
NPO26381 Bombus pascuorum Species Apidae Eukaryota UNPD*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO29322 Rhodanthe maryonii Species Asteraceae Eukaryota UNPD*
NPO5154 Tsuga diversifolia Species Pinaceae Eukaryota UNPD*
NPO255 Solanum pseudopersicum Species Solanaceae Eukaryota UNPD*
NPO10527 Cyathula tomentosa Species Amaranthaceae Eukaryota UNPD*
NPO591 Penicillium meleagrinum Species Aspergillaceae Eukaryota UNPD*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO15087 Alstonia pittieri Species Apocynaceae Eukaryota UNPD*
NPO12178 Pinellia pedatisecta Species Araceae Eukaryota TCMID*
NPO978 Panzerina lanata Species Lamiaceae Eukaryota UNPD*
NPO23104 Wedelia scaberrima Species Asteraceae Eukaryota UNPD*
NPO9299.3 Hordeum vulgare var. distichon Varieties Poaceae Eukaryota UNPD*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO5599 Chrysocoma peduncularis Species Asteraceae Eukaryota UNPD*
NPO5243 Typha angustata Species Typhaceae Eukaryota TCMID*
NPO12777 Laurencia pacifica Species Rhodomelaceae Eukaryota UNPD*
NPO6604 Melanothamnus afaqhusainii Species Rhodomelaceae Eukaryota UNPD*
NPO26951 Gymnopus androsaceus Species Omphalotaceae Eukaryota UNPD*
NPO14003 Crotalaria lachnosema Species Fabaceae Eukaryota UNPD*
NPO18311 Carthamus tinctorius Species Asteraceae Eukaryota TM-MC*
NPO244 Stachyurus himalaicus Species Stachyuraceae Eukaryota UNPD*
NPO15513 Pseudocyphellaria rubella Species Lobariaceae Eukaryota UNPD*
NPO27134 Euphrasia rubra Species Orobanchaceae Eukaryota UNPD*
NPO11014 Allium tuberosum Species Amaryllidaceae Eukaryota TCM_Taiwan*
NPO7897 Passiflora foetida Species Passifloraceae Eukaryota UNPD*
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota TM-MC*
NPO13477 Cyberlindnera jadinii Species Phaffomycetaceae Eukaryota UNPD*
NPO7235 Brachychiton populneum Species Malvaceae Eukaryota UNPD*
NPO17830 Adonis aleppica Species Ranunculaceae Eukaryota UNPD*
NPO12178 Pinellia pedatisecta Species Araceae Eukaryota HerDing*
NPO13010 Allium stipitatum Species Amaryllidaceae Eukaryota UNPD*
NPO2438 Euryale ferox Species Nymphaeaceae Eukaryota TM-MC*
NPO16161 Stephania aculeata Species Menispermaceae Eukaryota UNPD*
NPO2832 Hazunta membranacea NA NA NA UNPD*
NPO12444 Astragalus sinicus Species Fabaceae Eukaryota TCM_Taiwan*
NPO11584 Artemisia argentea Species Asteraceae Eukaryota UNPD*
NPO1279 Fritillaria cirrhosa Species Liliaceae Eukaryota TM-MC*
NPO12480 Brodiaea californica Species Asparagaceae Eukaryota UNPD*
NPO5641 Dendroctonus frontalis Species Curculionidae Eukaryota UNPD*
NPO14327 Scabiosa comosa Species Caprifoliaceae Eukaryota UNPD*
NPO18116 Dregea volubilis Species Apocynaceae Eukaryota UNPD*
NPO12273 Fritillaria delavayi Species Liliaceae Eukaryota TM-MC*
NPO10856 Passiflora edulis Species Passifloraceae Eukaryota UNPD*
NPO9917 Plagiomnium cuspidatum Species Mniaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TCM_Taiwan*
NPO22101 Himantoglossum hircinum Species Orchidaceae Eukaryota UNPD*
NPO14135 Fritillaria prezewalskii Species Liliaceae Eukaryota TM-MC*
NPO15108 Angiopteris evecta Species Marattiaceae Eukaryota UNPD*
NPO1124 Scapania aequiloba Species Scapaniaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO2667 Acacia lasiopetala Species Fabaceae Eukaryota UNPD*
NPO22292 Fritillaria przewalskii Species Liliaceae Eukaryota TM-MC*
NPO1899 Aria rostellata Species Rosaceae Eukaryota UNPD*
NPO27031 Methanosarcina barkeri Species Methanosarcinaceae Archaea UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO15718 Lindera sericea Species Tineidae Eukaryota UNPD*
NPO25808 Fritillaria taipaiensis Species Liliaceae Eukaryota TM-MC*
NPO2348 Tripterygium regelii Species Celastraceae Eukaryota UNPD*
NPO19048 Pinellia ternata Species Araceae Eukaryota UNPD*
NPO1777 Toddalia aculeata Species Rutaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO3734 Vigna umbellata Species Fabaceae Eukaryota UNPD*
NPO14849 Fritillaria unibracteata Species Liliaceae Eukaryota TM-MC*
NPO14965 Lepidophorum repandum Species Asteraceae Eukaryota UNPD*
NPO1249 Euphorbia sieboldiana Species Euphorbiaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[6656991]
NPO20440 Chrysanthemum x morifolium Species Asteraceae Eukaryota UNPD*
NPO12556 Fritillaria verticillata Species Liliaceae Eukaryota TM-MC*
NPO13460 Asphodeline damascena Species Asphodelaceae Eukaryota UNPD*
NPO3477 Plantago asiatica Species Plantaginaceae Eukaryota UNPD*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[6656991]
NPO5137 Myristica malabarica Species Myristicaceae Eukaryota UNPD*
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO15898 Streptomyces noursei Species Streptomycetaceae Bacteria UNPD*
NPO28240 Notholaena lemmonii Species Pteridaceae Eukaryota UNPD*
NPO18674 Juglans regia Species Juglandaceae Eukaryota TCM_Taiwan*
NPO7026 Vismia orientalis Species Hypericaceae Eukaryota UNPD*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*
NPO15621 Lethasterias fusca Species Asteriidae Eukaryota UNPD*
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO2213 Chavica betle NA NA NA UNPD*
NPO22309 Gastrodia elata Species Orchidaceae Eukaryota TM-MC*
NPO2277 Angylocalyx braunii Species Fabaceae Eukaryota UNPD*
NPO21027 Daphnia magna Species Daphniidae Eukaryota PMID[20117838]
NPO22203 Tapinella panuoides Species Tapinellaceae Eukaryota UNPD*
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*
NPO7379 Clostridium butyricum Species Clostridiaceae Bacteria UNPD*
NPO14614 Kopsia longiflora Species Apocynaceae Eukaryota UNPD*
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO3478 Nelumbo nucifera Species Nelumbonaceae Eukaryota TM-MC*
NPO10031 Euphorbia antiquorum Species Euphorbiaceae Eukaryota UNPD*
NPO25206 Cucurbita moschata Species Cucurbitaceae Eukaryota TCM_Taiwan*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO15404 Streptomyces erythrochromogenes Species Streptomycetaceae Bacteria UNPD*
NPO28265 Morus alba Species Moraceae Eukaryota TCM_Taiwan*
NPO4786 Chrysotila lamellosa Species Isochrysidaceae Eukaryota UNPD*
NPO4640 Portulaca oleracea Species Portulacaceae Eukaryota TM-MC*
NPO4129 Veronica persica Species Plantaginaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCM_Taiwan*
NPO29703 Abri herba NA NA NA TCMSP*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TM-MC*
NPO4728 Streptomyces tsukubensis Species Streptomycetaceae Bacteria UNPD*
NPO18558 Abies alba Species Pinaceae Eukaryota UNPD*
NPO30171 Lentinus edodes Species Lentinaceae Eukaryota TCM_Taiwan*
NPO29553 Hordei fructus germinatus NA NA NA TCMSP*
NPO1315 Sinomenium acutum Species Menispermaceae Eukaryota TM-MC*
NPO13743 Populus yunnanensis Species Salicaceae Eukaryota UNPD*
NPO30270 Cordyceps sinensis Species Cordycipitaceae Eukaryota TCM_Taiwan*
NPO28680 Corayceps NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1423 Individual Protein Cyclin-dependent kinase 1 Homo sapiens IC50 = 200000 nM 9046330
NPT25 Cell Line MT4 Homo sapiens IC50 = 12000 nM 15109677
NPT2 Others Unspecified Inhibition = 88 % 9871546
NPT2 Others Unspecified Inhibition = 89 % 9871546
NPT2 Others Unspecified Inhibition = 99 % 9871546
NPT1424 Individual Protein Serine/threonine-protein kinase RAF Homo sapiens Inhibition = 14 % 15689155
NPT491 Individual Protein Dual specificity mitogen-activated protein kinase kinase 1 Homo sapiens Inhibition = 9 % 15689155
NPT321 Protein Family cAMP-dependent protein kinase (PKA) Homo sapiens Inhibition = 14 % 15689155
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens Inhibition = 0 % 15689155
NPT182 Individual Protein Protein kinase C alpha Homo sapiens Inhibition = 6 % 15689155
NPT592 Individual Protein Rho-associated protein kinase 1 Homo sapiens Inhibition = 28 % 15689155
NPT283 Individual Protein MAP kinase p38 alpha Homo sapiens Inhibition = 7 % 15689155
NPT1425 Protein Family Ca2+/calmodulin-dependent protein kinase II (CaM kinase II) Rattus norvegicus Inhibition = 0 % 15689155
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens Inhibition = 0 % 15689155
NPT1426 Individual Protein c-Jun N-terminal kinase 1 Homo sapiens Inhibition = 0 % 15689155
NPT1427 Individual Protein c-Jun N-terminal kinase 2 Homo sapiens Inhibition = 0 % 15689155
NPT1428 Individual Protein c-Jun N-terminal kinase 3 Rattus norvegicus Inhibition = 10 % 15689155
NPT13 Individual Protein Tyrosine-protein kinase LCK Homo sapiens Inhibition = 19 % 15689155
NPT281 Individual Protein MAP kinase ERK1 Homo sapiens Inhibition = 3 % 15689155
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Inhibition = 17 % 15689155
NPT967 Individual Protein Xanthine dehydrogenase Homo sapiens IC50 = 10890 nM 17379526
NPT967 Individual Protein Xanthine dehydrogenase Homo sapiens Inhibition = 61.3 % 17379526
NPT2 Others Unspecified IC50 > 100 ug/ml 1666120
NPT1429 Individual Protein Heat shock protein HSP 90-beta Homo sapiens IC50 > 4000000 nM 19610616
NPT2 Others Unspecified Kd >= 90000000 nM 19678707
NPT2 Others Unspecified Ki = 29.2 nM 19731917
NPT2 Others Unspecified Ki = 47.1 nM 19731917
NPT2 Others Unspecified Ratio Ki = 1.6 19731917
NPT2 Others Unspecified Inhibition = 35 % 19731917
NPT2 Others Unspecified IC50 = 8290 nM 19731917
NPT2 Others Unspecified IC50 = 12900000 nM 20004571
NPT2 Others Unspecified IC50 = 15800000 nM 20004571
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 2511.9 nM PubChem BioAssay data set
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 11 % 21189019
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 10 % 21189019
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus Inhibition = 6 % 21189019
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Inhibition = 16 % 21189019
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 17 % 21189019
NPT569 Individual Protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 9 % 21189019
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition = -1 % 21189019
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = 9 % 21189019
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = -3 % 21189019
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT1005 Individual Protein Tumor susceptibility gene 101 protein Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT728 Individual Protein Serine/threonine-protein kinase AKT Homo sapiens Inhibition = 20 % 21699136
NPT1430 Individual Protein Serine/threonine-protein kinase AKT2 Homo sapiens Inhibition = 7 % 21699136
NPT1431 Individual Protein Mitogen-activated protein kinase kinase kinase 5 Homo sapiens Inhibition = 88 % 21699136
NPT1432 Individual Protein Serine/threonine-protein kinase Aurora-A Homo sapiens Inhibition = 90 % 21699136
NPT1433 Individual Protein Serine/threonine-protein kinase Aurora-B Homo sapiens Inhibition = 99 % 21699136
NPT1434 Individual Protein Serine/threonine-protein kinase B-raf Homo sapiens Inhibition = 63 % 21699136
NPT285 Individual Protein Epidermal growth factor receptor erbB1 Homo sapiens Inhibition = 11 % 21699136
NPT286 Individual Protein Receptor protein-tyrosine kinase erbB-2 Homo sapiens Inhibition = 3 % 21699136
NPT1435 Individual Protein Receptor protein-tyrosine kinase erbB-4 Homo sapiens Inhibition = 9 % 21699136
NPT1436 Individual Protein Focal adhesion kinase 1 Homo sapiens Inhibition = 5 % 21699136
NPT1437 Individual Protein Tyrosine-protein kinase FES Homo sapiens Inhibition = 20 % 21699136
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens Inhibition = 57 % 21699136
NPT1438 Individual Protein Insulin-like growth factor I receptor Homo sapiens Inhibition = 44 % 21699136
NPT981 Individual Protein Inhibitor of nuclear factor kappa B kinase beta subunit Homo sapiens Inhibition = 22 % 21699136
NPT1439 Individual Protein Tyrosine-protein kinase ITK/TSK Homo sapiens Inhibition = 87 % 21699136
NPT1440 Individual Protein Tyrosine-protein kinase JAK3 Homo sapiens Inhibition = 78 % 21699136
NPT1426 Individual Protein c-Jun N-terminal kinase 1 Homo sapiens Inhibition = 33 % 21699136
NPT1441 Individual Protein MAP kinase-activated protein kinase 2 Homo sapiens Inhibition = 80 % 21699136
NPT283 Individual Protein MAP kinase p38 alpha Homo sapiens Inhibition = 24 % 21699136
NPT1442 Individual Protein Serine/threonine-protein kinase PAK 2 Homo sapiens Inhibition = 36 % 21699136
NPT1443 Individual Protein Pyruvate dehydrogenase kinase isoform 1 Homo sapiens Inhibition = 77 % 21699136
NPT1444 Individual Protein PI3-kinase p110-alpha subunit Homo sapiens Inhibition = 45 % 21699136
NPT1445 Individual Protein PI3-kinase p110-gamma subunit Homo sapiens Inhibition = 66 % 21699136
NPT1446 Individual Protein PI3-kinase p110-delta subunit Homo sapiens Inhibition = 68 % 21699136
NPT1265 Individual Protein Serine/threonine-protein kinase PIM1 Homo sapiens Inhibition = 20 % 21699136
NPT1447 Individual Protein Serine/threonine-protein kinase RIPK2 Homo sapiens Inhibition = 11 % 21699136
NPT592 Individual Protein Rho-associated protein kinase 1 Homo sapiens Inhibition = 80 % 21699136
NPT1448 Individual Protein Serine/threonine-protein kinase Sgk1 Homo sapiens Inhibition = 76 % 21699136
NPT1449 Individual Protein Tyrosine-protein kinase SYK Homo sapiens Inhibition = 56 % 21699136
NPT2 Others Unspecified Potency 56234.1 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 96161.23 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 81470.43 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 129419.58 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 146217.72 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 49659.23 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 96605.09 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100925.29 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 7144.96 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 247742.21 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 19319.68 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 130617.09 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 58884.37 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 46238.1 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 107646.52 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 105438.69 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 120781.38 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 81096.11 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 230674.72 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 141253.75 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 50699.07 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 152756.61 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 9397.23 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 116144.86 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 167880.4 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 126473.63 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 139958.73 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 64863.44 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 91411.32 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 124738.35 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 121059.81 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 97949 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 128528.67 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 80909.59 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 21281.39 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 84139.51 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 26977.39 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 48083.93 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 79250.13 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 73282.45 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 250034.54 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 107894.67 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 113762.73 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 199986.19 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 135207.26 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 40457.59 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 111173.17 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 120503.59 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 243220.4 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 162181.01 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 30130.06 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 108893.01 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 213304.49 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 32642.7 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 90.14 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 81.98 % 23571415
NPT2 Others Unspecified Ki = 280 nM 24283924
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 8412.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 13685.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1693 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4364.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30895.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 691.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5955.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 273.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17228.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13800.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21689.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 8.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8634.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3857.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4327.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set
NPT1451 Individual Protein Cytosolic purine 5'-nucleotidase Homo sapiens Inhibition = 19 % 26599519

  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 NPC18335 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
0.9314 High Similarity NPC4837
0.9314 High Similarity NPC312187
0.9091 High Similarity NPC87981
0.9091 High Similarity NPC174114
0.8972 High Similarity NPC189314
0.8972 High Similarity NPC68938
0.8286 Intermediate Similarity NPC476564
0.8136 Intermediate Similarity NPC14330
0.8113 Intermediate Similarity NPC476099
0.8067 Intermediate Similarity NPC287876
0.8067 Intermediate Similarity NPC246193
0.7934 Intermediate Similarity NPC57279
0.7767 Intermediate Similarity NPC51000
0.748 Intermediate Similarity NPC104011
0.7333 Intermediate Similarity NPC5707
0.7328 Intermediate Similarity NPC148385
0.7297 Intermediate Similarity NPC476562
0.7248 Intermediate Similarity NPC293163
0.7213 Intermediate Similarity NPC248007
0.7207 Intermediate Similarity NPC59314
0.7117 Intermediate Similarity NPC476561
0.7083 Intermediate Similarity NPC252603
0.6967 Remote Similarity NPC139776
0.6917 Remote Similarity NPC278549
0.6881 Remote Similarity NPC9639
0.6818 Remote Similarity NPC33996
0.6767 Remote Similarity NPC296437
0.6767 Remote Similarity NPC129756
0.6723 Remote Similarity NPC41958
0.6716 Remote Similarity NPC161659
0.6716 Remote Similarity NPC209525
0.6716 Remote Similarity NPC317821
0.6716 Remote Similarity NPC470266
0.6691 Remote Similarity NPC217656
0.6618 Remote Similarity NPC476528
0.6618 Remote Similarity NPC229974
0.6618 Remote Similarity NPC314152
0.6618 Remote Similarity NPC476433
0.6609 Remote Similarity NPC111132
0.6569 Remote Similarity NPC476522
0.6569 Remote Similarity NPC476013
0.6569 Remote Similarity NPC474986
0.6569 Remote Similarity NPC476520
0.6529 Remote Similarity NPC313547
0.6522 Remote Similarity NPC107374
0.6522 Remote Similarity NPC476521
0.6522 Remote Similarity NPC156461
0.6522 Remote Similarity NPC21448
0.65 Remote Similarity NPC244700
0.6496 Remote Similarity NPC155498
0.6475 Remote Similarity NPC189068
0.6475 Remote Similarity NPC164665
0.6452 Remote Similarity NPC158847
0.6429 Remote Similarity NPC309832
0.6429 Remote Similarity NPC269827
0.6429 Remote Similarity NPC476408
0.6429 Remote Similarity NPC219313
0.6393 Remote Similarity NPC199790
0.6383 Remote Similarity NPC121222
0.6338 Remote Similarity NPC136349
0.6319 Remote Similarity NPC328479
0.6316 Remote Similarity NPC320256
0.6311 Remote Similarity NPC256849
0.6294 Remote Similarity NPC150853
0.6286 Remote Similarity NPC89139
0.626 Remote Similarity NPC327613
0.6259 Remote Similarity NPC239737
0.625 Remote Similarity NPC211025
0.625 Remote Similarity NPC85689
0.625 Remote Similarity NPC185991
0.625 Remote Similarity NPC161224
0.6241 Remote Similarity NPC197068
0.6216 Remote Similarity NPC195140
0.6207 Remote Similarity NPC321814
0.6207 Remote Similarity NPC472816
0.6164 Remote Similarity NPC212551
0.6164 Remote Similarity NPC164952
0.6164 Remote Similarity NPC302778
0.6164 Remote Similarity NPC130586
0.6154 Remote Similarity NPC313897
0.6148 Remote Similarity NPC47936
0.6122 Remote Similarity NPC472834
0.6122 Remote Similarity NPC174802
0.6081 Remote Similarity NPC224076
0.6081 Remote Similarity NPC472833
0.604 Remote Similarity NPC316618
0.604 Remote Similarity NPC226245
0.604 Remote Similarity NPC93365
0.6036 Remote Similarity NPC326364
0.6017 Remote Similarity NPC187191
0.6017 Remote Similarity NPC326248
0.5986 Remote Similarity NPC207633
0.5985 Remote Similarity NPC321929
0.596 Remote Similarity NPC18308
0.596 Remote Similarity NPC472832
0.595 Remote Similarity NPC119133
0.592 Remote Similarity NPC303899
0.5909 Remote Similarity NPC324484
0.5891 Remote Similarity NPC327579
0.5871 Remote Similarity NPC325906
0.5867 Remote Similarity NPC52238
0.5854 Remote Similarity NPC75131
0.5844 Remote Similarity NPC323091
0.5833 Remote Similarity NPC109322
0.5828 Remote Similarity NPC313754
0.5828 Remote Similarity NPC54320
0.5828 Remote Similarity NPC311197
0.5796 Remote Similarity NPC290959
0.5789 Remote Similarity NPC180493
0.5783 Remote Similarity NPC313514
0.5702 Remote Similarity NPC273327
0.5696 Remote Similarity NPC326082
0.5678 Remote Similarity NPC476128
0.5656 Remote Similarity NPC10466
0.5648 Remote Similarity NPC237936
0.5603 Remote Similarity NPC320818

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC18335 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD8836 Approved
0.8972 High Similarity NPD8833 Approved
0.8972 High Similarity NPD8831 Approved
0.8067 Intermediate Similarity NPD8829 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD9083 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD9484 Clinical (unspecified phase)
0.7767 Intermediate Similarity NPD8838 Approved
0.7603 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD9408 Phase 3
0.7333 Intermediate Similarity NPD8830 Phase 3
0.7328 Intermediate Similarity NPD9704 Approved
0.7302 Intermediate Similarity NPD1058 Discontinued
0.7258 Intermediate Similarity NPD9633 Phase 3
0.7213 Intermediate Similarity NPD9084 Phase 2
0.7207 Intermediate Similarity NPD8837 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD248 Discontinued
0.7083 Intermediate Similarity NPD9289 Approved
0.7083 Intermediate Similarity NPD76 Approved
0.7083 Intermediate Similarity NPD9292 Approved
0.7083 Intermediate Similarity NPD9288 Approved
0.6983 Remote Similarity NPD8955 Approved
0.6983 Remote Similarity NPD8954 Approved
0.68 Remote Similarity NPD579 Clinical (unspecified phase)
0.6716 Remote Similarity NPD3696 Approved
0.6716 Remote Similarity NPD193 Suspended
0.6716 Remote Similarity NPD3695 Approved
0.6692 Remote Similarity NPD799 Phase 1
0.6643 Remote Similarity NPD3708 Phase 2
0.6618 Remote Similarity NPD185 Approved
0.6609 Remote Similarity NPD341 Approved
0.6609 Remote Similarity NPD8861 Approved
0.6609 Remote Similarity NPD8859 Approved
0.6609 Remote Similarity NPD340 Approved
0.6609 Remote Similarity NPD8862 Approved
0.6569 Remote Similarity NPD4240 Approved
0.6522 Remote Similarity NPD250 Approved
0.6522 Remote Similarity NPD249 Approved
0.6522 Remote Similarity NPD166 Approved
0.6522 Remote Similarity NPD7158 Phase 1
0.6522 Remote Similarity NPD171 Discontinued
0.6452 Remote Similarity NPD9360 Approved
0.6429 Remote Similarity NPD195 Approved
0.6429 Remote Similarity NPD186 Discovery
0.6389 Remote Similarity NPD1750 Clinical (unspecified phase)
0.6389 Remote Similarity NPD1369 Phase 2
0.6338 Remote Similarity NPD548 Clinical (unspecified phase)
0.6311 Remote Similarity NPD9359 Approved
0.6311 Remote Similarity NPD9358 Approved
0.6261 Remote Similarity NPD9194 Approved
0.6261 Remote Similarity NPD9193 Approved
0.626 Remote Similarity NPD8832 Approved
0.6259 Remote Similarity NPD1732 Phase 3
0.6259 Remote Similarity NPD2646 Discontinued
0.6259 Remote Similarity NPD2624 Phase 2
0.625 Remote Similarity NPD283 Approved
0.6241 Remote Similarity NPD1730 Discontinued
0.623 Remote Similarity NPD9375 Discontinued
0.621 Remote Similarity NPD757 Phase 3
0.6183 Remote Similarity NPD8826 Approved
0.6179 Remote Similarity NPD9373 Approved
0.6164 Remote Similarity NPD3107 Discontinued
0.6164 Remote Similarity NPD338 Approved
0.6164 Remote Similarity NPD242 Approved
0.6124 Remote Similarity NPD306 Approved
0.6122 Remote Similarity NPD339 Approved
0.6081 Remote Similarity NPD169 Phase 2
0.608 Remote Similarity NPD9086 Approved
0.608 Remote Similarity NPD9374 Approved
0.6061 Remote Similarity NPD9696 Approved
0.604 Remote Similarity NPD546 Clinical (unspecified phase)
0.6032 Remote Similarity NPD9132 Discontinued
0.6029 Remote Similarity NPD1264 Phase 2
0.6028 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6026 Remote Similarity NPD1567 Clinical (unspecified phase)
0.6016 Remote Similarity NPD580 Discontinued
0.5987 Remote Similarity NPD2593 Clinical (unspecified phase)
0.5985 Remote Similarity NPD8827 Approved
0.595 Remote Similarity NPD9291 Approved
0.5948 Remote Similarity NPD1122 Clinical (unspecified phase)
0.5946 Remote Similarity NPD213 Clinical (unspecified phase)
0.5946 Remote Similarity NPD214 Approved
0.5938 Remote Similarity NPD9606 Approved
0.5923 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5923 Remote Similarity NPD420 Discontinued
0.5921 Remote Similarity NPD516 Clinical (unspecified phase)
0.5891 Remote Similarity NPD307 Approved
0.5891 Remote Similarity NPD9607 Approved
0.589 Remote Similarity NPD2457 Phase 2
0.589 Remote Similarity NPD2456 Phase 2
0.5871 Remote Similarity NPD1777 Approved
0.5871 Remote Similarity NPD1776 Approved
0.5852 Remote Similarity NPD1807 Clinical (unspecified phase)
0.5846 Remote Similarity NPD9409 Discontinued
0.5841 Remote Similarity NPD8565 Clinical (unspecified phase)
0.5833 Remote Similarity NPD2478 Clinical (unspecified phase)
0.5828 Remote Similarity NPD219 Phase 3
0.5828 Remote Similarity NPD220 Clinical (unspecified phase)
0.5828 Remote Similarity NPD216 Approved
0.5828 Remote Similarity NPD217 Approved
0.5828 Remote Similarity NPD218 Approved
0.5814 Remote Similarity NPD237 Clinical (unspecified phase)
0.5814 Remote Similarity NPD578 Discontinued
0.5797 Remote Similarity NPD209 Clinical (unspecified phase)
0.5789 Remote Similarity NPD78 Approved
0.5789 Remote Similarity NPD9544 Approved
0.5783 Remote Similarity NPD7138 Phase 2
0.5772 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7988 Suspended
0.5769 Remote Similarity NPD1333 Phase 3
0.5746 Remote Similarity NPD281 Approved
0.5742 Remote Similarity NPD1016 Phase 2
0.5742 Remote Similarity NPD1015 Phase 2
0.5741 Remote Similarity NPD2930 Clinical (unspecified phase)
0.5735 Remote Similarity NPD9571 Approved
0.5732 Remote Similarity NPD2647 Phase 3
0.5704 Remote Similarity NPD1085 Approved
0.5704 Remote Similarity NPD1775 Approved
0.5677 Remote Similarity NPD3083 Approved
0.5664 Remote Similarity NPD1118 Discontinued
0.5662 Remote Similarity NPD1127 Approved
0.5662 Remote Similarity NPD1128 Approved
0.5648 Remote Similarity NPD8185 Discontinued
0.5648 Remote Similarity NPD8186 Phase 1
0.5639 Remote Similarity NPD4262 Discontinued
0.561 Remote Similarity NPD9626 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   190
ChEMBL   CHEMBL226345
ZINC  

Physicochemical Properties

Molecular Weight:  135.05
ALogP:  -1.1703
MLogP:  1.46
XLogP:  -0.664
# Rotatable Bonds:  1
Polar Surface Area:  80.48
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  10

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