Natural Product: NPC161097

Natural Product ID:  NPC161097
Common Name:   Hexadecanoic Acid Methyl Ester
IUPAC Name:   methyl hexadecanoate
Synonyms:   Hexadecanoic Acid Methyl Ester; Methyl Palmitate
Molecular Formula:   C17H34O2
Standard InCHIKey:  FLIACVVOZYBSBS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)OC
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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TCMSP*
NPO25133 Cynanchistauntonii rhizoma et radix NA NA NA TCMSP*
NPO15666 Hamamotoa singularis Species Chrysozymaceae Eukaryota UNPD*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO23270 Neolitsea daibuensis Species Lauraceae Eukaryota Root PMID[22148193]
NPO19552 Notoginseng flos NA NA NA TCMSP*
NPO18129 Notopterygii rhizoma et radix NA NA NA TCMSP*
NPO19393 Xeranthemum annuum Species Asteraceae Eukaryota UNPD*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO25739 Erysimum odoratum Species Brassicaceae Eukaryota UNPD*
NPO4843 Gossampiniflos NA NA NA TCMSP*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO20655 Virola pavonis Species Myristicaceae Eukaryota UNPD*
NPO3578 Andrographis paniculata Species Acanthaceae Eukaryota TM-MC*
NPO8243 Euphorbia supina Species Euphorbiaceae Eukaryota UNPD*
NPO25972 Eupolyphaga sinensis Species Corydiidae Eukaryota UNPD*
NPO298 Isatdis radix NA NA NA TCMSP*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO26607 Colobocentrotus atratus Species Echinidae Eukaryota UNPD*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO2898 Quercus sessiliflora Species Fagaceae Eukaryota UNPD*
NPO27197 Platycladi semen NA NA NA TCMSP*
NPO17331 Radix clematidis Species Lymnaeidae Eukaryota TCMSP*
NPO26406 Saussurea carthamoides Species Asteraceae Eukaryota UNPD*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO25896 Bragantia wallichii NA NA NA UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO887 Cayratiae japonicae herba NA NA NA TCMSP*
NPO23374 Cortinarius bulbiger Species Cortinariaceae Eukaryota UNPD*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*
NPO26451 Ophiocoma scolopendrina Species Ophiocomidae Eukaryota UNPD*
NPO489 Codonopsis radix Species Campanulaceae Eukaryota TCMSP*
NPO29700 Peucedani radix NA NA NA TCMSP*
NPO25923 Vismia jefensis Species Hypericaceae Eukaryota UNPD*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO25547 Spirodela polyrhiza Species Araceae Eukaryota TM-MC*
NPO5510 Lepidium draba Species Brassicaceae Eukaryota UNPD*
NPO29715 Litchi chinensis Species Sapindaceae Eukaryota TCMSP*
NPO21889 Pollen typhae NA NA NA TCMSP*
NPO28891 Trichocline reptans Species Asteraceae Eukaryota UNPD*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO2943 Sraitia grosvenorii NA NA NA TM-MC*
NPO28077 Phytophthora cactorum Species NA Eukaryota UNPD*
NPO12928 Cucumaria fraudatrix Species Cucumariidae Eukaryota UNPD*
NPO29543 Raphani semen NA NA NA TCMSP*
NPO9158 Mahoniae folum NA NA NA TCMSP*
NPO26319 Solanum acaule Species Solanaceae Eukaryota UNPD*
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TM-MC*
NPO29399 Microdochium nivale Species Microdochiaceae Eukaryota UNPD*
NPO26052 Swertia delavayi Species Gentianaceae Eukaryota UNPD*
NPO13077 Amygdalus communis vas NA NA NA TCMSP*
NPO3041 Rhizome of whiteback greenbrier NA NA NA TCMSP*
NPO26624 Ilex amara Species Aquifoliaceae Eukaryota UNPD*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO4702 Trichosanthes rosthornii Species Cucurbitaceae Eukaryota TM-MC*
NPO1394 Penicillium sclerotigenum Species Aspergillaceae Eukaryota UNPD*
NPO26184 Diphasia angolensis Species Rutaceae Eukaryota UNPD*
NPO29564 Farfarae flos NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO2040 Inocybe patouillardii Species Inocybaceae Eukaryota UNPD*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO5315 Zanthoxylum bungeanum Species Rutaceae Eukaryota TM-MC*
NPO26584 Gnidia lamprantha Species Thymelaeaceae Eukaryota UNPD*
NPO25660 Gypsophila oldhamiana Species Caryophyllaceae Eukaryota UNPD*
NPO16497 Trichosanthes kirilowii maxim Species Cucurbitaceae Eukaryota TCMSP*
NPO29548 Polygoni orientalis fructus NA NA NA TCMSP*
NPO25792 Delphinium andersoni Species Ranunculaceae Eukaryota UNPD*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TM-MC*
NPO8698 Zanthoxylum schinifolium Species Rutaceae Eukaryota TM-MC*
NPO25835 Parmotrema nilgherrense Species Parmeliaceae Eukaryota UNPD*
NPO26349 Frullania tamarisci Species Frullaniaceae Eukaryota UNPD*
NPO29679 Lycii fructus NA NA NA TCMSP*
NPO23877 Leonuri fructus NA NA NA TCMSP*
NPO26900 Vallota purpurea NA NA NA UNPD*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO25995 Laurencia distichophylla Species Rhodomelaceae Eukaryota UNPD*
NPO25214 Uvaria narum Species Annonaceae Eukaryota UNPD*
NPO29598 Mahoniae caulis NA NA NA TCMSP*
NPO29547 Broussonetiae fructus NA NA NA TCMSP*
NPO11609 Bahia woodhousei Species Asteraceae Eukaryota UNPD*
NPO5649 Coptis chinensis Species Ranunculaceae Eukaryota TM-MC*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota TCMID*
NPO23613 Hypselodoris capensis Species Chromodorididae Eukaryota UNPD*
NPO26374 Alangium premnifolium Species Cornaceae Eukaryota UNPD*
NPO10766 Alpiniae officinarum rhizome NA NA NA TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO28542 Streptocarpus dunnii Species Gesneriaceae Eukaryota UNPD*
NPO22622 Coptis deltoidea Species Ranunculaceae Eukaryota TM-MC*
NPO310 Flos mume Species Lycaenidae Eukaryota TCMID*
NPO12390 Rudbeckia amplexicaulis Species Asteraceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO29702 Zingiberis rhizoma NA NA NA TCMSP*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO25581 Coelospermum paniculatum Species Rubiaceae Eukaryota UNPD*
NPO13757 Coptis japonica Species Ranunculaceae Eukaryota TM-MC*
NPO8845 Cacumen tamaricis NA NA NA TCMID*
NPO10139 Sarcomelicope follicularis Species Rutaceae Eukaryota UNPD*
NPO25769 Heterotheca inuloides Species Asteraceae Eukaryota UNPD*
NPO3827 Violsse herba NA NA NA TCMSP*
NPO29724 Hedysari radix NA NA NA TCMSP*
NPO26161 Globba malaccensis Species Zingiberaceae Eukaryota UNPD*
NPO29008 Coptis teeta Species Ranunculaceae Eukaryota TM-MC*
NPO6947 Astilbe chinensis Species Saxifragaceae Eukaryota TCMID*
NPO26287 Spodoptera eridania Species Noctuidae Eukaryota UNPD*
NPO26654 Penicillium citreonigrum Species Aspergillaceae Eukaryota UNPD*
NPO32 Peucedanidecursivi radix NA NA NA TCMSP*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO23479 Elaeodendron buchananii Species Celastraceae Eukaryota UNPD*
NPO19592 Michelia alba Species Magnoliaceae Eukaryota TCMID*
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota UNPD*
NPO15930 Myosotis krylovii Species Boraginaceae Eukaryota UNPD*
NPO29714 Puerariae flos NA NA NA TCMSP*
NPO2811 Calyx seu fructus physalis Species Phloeodictyidae Eukaryota TCMSP*
NPO201 Gmelina arborea Species Lamiaceae Eukaryota TCMID*
NPO26806 Nidula candida Species Nidulariaceae Eukaryota UNPD*
NPO22505 Bombax ceiba Species Malvaceae Eukaryota UNPD*
NPO11172 Lepidii semen descurainiae semen NA NA NA TCMSP*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota TCMSP*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO28265 Morus alba Species Moraceae Eukaryota TCMID*
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota UNPD*
NPO3471 Suillellus luridus Species Boletaceae Eukaryota UNPD*
NPO19689 Radix cirsii japonici Species Lymnaeidae Eukaryota TCMSP*
NPO18744 Verbenae herb NA NA NA TCMSP*
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota TCMID*
NPO13981 Helianthella quinquenervis Species Asteraceae Eukaryota UNPD*
NPO18868 Allanblackia gabonensis Species Clusiaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO26699 Leonurus glaucescens Species Lamiaceae Eukaryota UNPD*
NPO26561 Micromeria pineolens Species Lamiaceae Eukaryota UNPD*
NPO26927 Salacia madagascariensis Species Celastraceae Eukaryota UNPD*
NPO29690 Leonuri herba NA NA NA TCMSP*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO13724 Garcinia celebica Species Clusiaceae Eukaryota UNPD*
NPO25247 Dendrobium tosaense Species Orchidaceae Eukaryota UNPD*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO8381 Curculiginis rhizome NA NA NA TCMSP*
NPO4460 Vincetoxicum glaucescens Species Apocynaceae Eukaryota TM-MC*
NPO26507 Galenia africana Species Aizoaceae Eukaryota UNPD*
NPO25870 Vaccinium vitis-idaea Species Ericaceae Eukaryota UNPD*
NPO25554 Yucca filifera Species Asparagaceae Eukaryota UNPD*
NPO29618 Citri grandis exocarpium NA NA NA TCMSP*
NPO6323 Croci stigma NA NA NA TCMSP*
NPO2761 Cynanchum stauntoni Species Apocynaceae Eukaryota TM-MC*
NPO7447 Nemalion vermiculare Species Liagoraceae Eukaryota UNPD*
NPO10785 Hypotrachyna neodamaziana Species Parmeliaceae Eukaryota UNPD*
NPO8014 Sterculiae lychnophorae semen NA NA NA TCMSP*
NPO10366 Vincetoxicum stauntonii Species Apocynaceae Eukaryota TM-MC*
NPO26950 Maba buxifolia Species Ebenaceae Eukaryota UNPD*
NPO13500 Minthostachys verticillata Species Lamiaceae Eukaryota UNPD*
NPO24350 Hammarbya paludosa Species Orchidaceae Eukaryota UNPD*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO27018 Cynomorium songaricum Species Cynomoriaceae Eukaryota TM-MC*
NPO19464 Croton draconoides Species Euphorbiaceae Eukaryota UNPD*
NPO11327 Lactarius necator Species Russulaceae Eukaryota UNPD*
NPO4750 Meliae azedarach fructus NA NA NA TCMSP*
NPO28295 Foeniculum vulgare Species Apiaceae Eukaryota TM-MC*
NPO16573 Pierreodendron kerstingii Species Simaroubaceae Eukaryota UNPD*
NPO25949 Streptomyces griseovariabilis Species Streptomycetaceae Bacteria UNPD*
NPO29648 Cassiae semen NA NA NA TCMSP*
NPO1436 Houttuynia cordata Species Saururaceae Eukaryota TM-MC*
NPO7167 Hosta undulata Species Asparagaceae Eukaryota UNPD*
NPO26134 Epimedium davidii Species Berberidaceae Eukaryota UNPD*
NPO25665 Lygodii spora NA NA NA TCMSP*
NPO13274 Illicium verum Species Schisandraceae Eukaryota TM-MC*
NPO26023 Angelica tarokoensis Species Apiaceae Eukaryota UNPD*
NPO26211 Knightia excelsa Species Proteaceae Eukaryota UNPD*
NPO29694 Mori cortex NA NA NA TCMSP*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT232 Individual Protein Cannabinoid CB1 receptor Homo sapiens Inhibition = 11 % 14521402
NPT1287 Individual Protein Cannabinoid CB2 receptor Homo sapiens Inhibition = 14 % 14521402
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus Inhibition = 18 % 14521402
NPT1260 Individual Protein Anandamide amidohydrolase Rattus norvegicus Inhibition = 69 % 14521402
NPT2 Others Unspecified Inhibition = 64 % 14521402
NPT4855 Individual Protein Proteasome Macropain subunit PRE2 Saccharomyces cerevisiae S288c Inhibition < 10 % 16630721
NPT4856 Individual Protein Proteasome Macropain subunit Saccharomyces cerevisiae S288c Inhibition < 10 % 16630721
NPT4857 Individual Protein Proteasome component C5 Saccharomyces cerevisiae S288c Inhibition < 10 % 16630721
NPT2 Others Unspecified Potency 1463.9 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC161097 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 NPC28598
0.9487 High Similarity NPC203531
0.9487 High Similarity NPC236579
0.9474 High Similarity NPC12156
0.9459 High Similarity NPC22903
0.9459 High Similarity NPC54980
0.9459 High Similarity NPC201622
0.9459 High Similarity NPC305660
0.9211 High Similarity NPC31551
0.9211 High Similarity NPC219536
0.9024 High Similarity NPC287231
0.9024 High Similarity NPC47363
0.8974 High Similarity NPC165533
0.8974 High Similarity NPC149299
0.8974 High Similarity NPC256163
0.8974 High Similarity NPC40597
0.8974 High Similarity NPC250028
0.881 High Similarity NPC12438
0.881 High Similarity NPC30195
0.878 High Similarity NPC317128
0.875 High Similarity NPC53541
0.875 High Similarity NPC171736
0.875 High Similarity NPC149184
0.875 High Similarity NPC307783
0.875 High Similarity NPC216630
0.875 High Similarity NPC196924
0.875 High Similarity NPC209970
0.8718 High Similarity NPC223249
0.8718 High Similarity NPC80234
0.8649 High Similarity NPC156630
0.8537 High Similarity NPC67462
0.8409 Intermediate Similarity NPC106872
0.8333 Intermediate Similarity NPC74845
0.825 Intermediate Similarity NPC154186
0.825 Intermediate Similarity NPC113928
0.825 Intermediate Similarity NPC14227
0.825 Intermediate Similarity NPC279026
0.825 Intermediate Similarity NPC301696
0.825 Intermediate Similarity NPC301585
0.825 Intermediate Similarity NPC201844
0.825 Intermediate Similarity NPC261080
0.8222 Intermediate Similarity NPC26253
0.8205 Intermediate Similarity NPC128996
0.8182 Intermediate Similarity NPC328497
0.8182 Intermediate Similarity NPC324004
0.814 Intermediate Similarity NPC8219
0.8043 Intermediate Similarity NPC55678
0.7955 Intermediate Similarity NPC52700
0.7955 Intermediate Similarity NPC105329
0.7955 Intermediate Similarity NPC63182
0.7955 Intermediate Similarity NPC145045
0.7949 Intermediate Similarity NPC80396
0.7949 Intermediate Similarity NPC154642
0.7949 Intermediate Similarity NPC80641
0.7907 Intermediate Similarity NPC19305
0.7907 Intermediate Similarity NPC255837
0.7895 Intermediate Similarity NPC57499
0.7872 Intermediate Similarity NPC287811
0.7805 Intermediate Similarity NPC183424
0.7805 Intermediate Similarity NPC118968
0.7805 Intermediate Similarity NPC214610
0.7805 Intermediate Similarity NPC294085
0.7778 Intermediate Similarity NPC21844
0.7778 Intermediate Similarity NPC249754
0.7778 Intermediate Similarity NPC326957
0.7727 Intermediate Similarity NPC273545
0.7708 Intermediate Similarity NPC310746
0.7692 Intermediate Similarity NPC86545
0.7692 Intermediate Similarity NPC301398
0.7692 Intermediate Similarity NPC223374
0.7692 Intermediate Similarity NPC196442
0.7674 Intermediate Similarity NPC129972
0.7674 Intermediate Similarity NPC301528
0.7674 Intermediate Similarity NPC71317
0.766 Intermediate Similarity NPC90904
0.7609 Intermediate Similarity NPC216130
0.7609 Intermediate Similarity NPC477878
0.7609 Intermediate Similarity NPC324793
0.7561 Intermediate Similarity NPC268826
0.7556 Intermediate Similarity NPC308301
0.7551 Intermediate Similarity NPC309606
0.7551 Intermediate Similarity NPC139545
0.7551 Intermediate Similarity NPC39633
0.75 Intermediate Similarity NPC155263
0.7447 Intermediate Similarity NPC304162
0.7442 Intermediate Similarity NPC103286
0.7442 Intermediate Similarity NPC163746
0.7436 Intermediate Similarity NPC154396
0.7436 Intermediate Similarity NPC286498
0.74 Intermediate Similarity NPC320588
0.74 Intermediate Similarity NPC23155
0.74 Intermediate Similarity NPC469937
0.74 Intermediate Similarity NPC53463
0.7381 Intermediate Similarity NPC81263
0.7347 Intermediate Similarity NPC161366
0.7333 Intermediate Similarity NPC469781
0.7333 Intermediate Similarity NPC55023
0.7292 Intermediate Similarity NPC305182
0.7273 Intermediate Similarity NPC176500
0.7255 Intermediate Similarity NPC223677
0.7255 Intermediate Similarity NPC28779
0.7255 Intermediate Similarity NPC228473
0.7255 Intermediate Similarity NPC128061
0.7255 Intermediate Similarity NPC200845
0.7255 Intermediate Similarity NPC10316
0.7234 Intermediate Similarity NPC131770
0.7234 Intermediate Similarity NPC200618
0.7179 Intermediate Similarity NPC322892
0.7179 Intermediate Similarity NPC286695
0.7174 Intermediate Similarity NPC314679
0.7143 Intermediate Similarity NPC314084
0.7143 Intermediate Similarity NPC262968
0.7083 Intermediate Similarity NPC250919
0.7073 Intermediate Similarity NPC134782
0.7 Intermediate Similarity NPC49615
0.6939 Remote Similarity NPC224227
0.6923 Remote Similarity NPC225318
0.6923 Remote Similarity NPC16578
0.6923 Remote Similarity NPC76608
0.6923 Remote Similarity NPC12904
0.6923 Remote Similarity NPC40965
0.6923 Remote Similarity NPC149101
0.6905 Remote Similarity NPC14608
0.6863 Remote Similarity NPC72722
0.6863 Remote Similarity NPC71761
0.6829 Remote Similarity NPC289344
0.6829 Remote Similarity NPC155872
0.6809 Remote Similarity NPC282440
0.68 Remote Similarity NPC100096
0.68 Remote Similarity NPC470412
0.68 Remote Similarity NPC470410
0.675 Remote Similarity NPC175342
0.675 Remote Similarity NPC147054
0.6744 Remote Similarity NPC73245
0.6739 Remote Similarity NPC76051
0.6731 Remote Similarity NPC424
0.6731 Remote Similarity NPC281972
0.6731 Remote Similarity NPC88966
0.6731 Remote Similarity NPC290563
0.6731 Remote Similarity NPC6095
0.6731 Remote Similarity NPC87394
0.6731 Remote Similarity NPC32467
0.6731 Remote Similarity NPC319589
0.6731 Remote Similarity NPC154245
0.6731 Remote Similarity NPC87564
0.6731 Remote Similarity NPC85813
0.6731 Remote Similarity NPC25417
0.6731 Remote Similarity NPC261831
0.6727 Remote Similarity NPC472019
0.6727 Remote Similarity NPC472020
0.6727 Remote Similarity NPC470363
0.6727 Remote Similarity NPC226602
0.6667 Remote Similarity NPC248763
0.6667 Remote Similarity NPC168982
0.6667 Remote Similarity NPC325452
0.6607 Remote Similarity NPC45097
0.6607 Remote Similarity NPC472021
0.6607 Remote Similarity NPC143857
0.6607 Remote Similarity NPC229252
0.6591 Remote Similarity NPC94368
0.6538 Remote Similarity NPC321062
0.6538 Remote Similarity NPC139029
0.6538 Remote Similarity NPC1813
0.6538 Remote Similarity NPC294548
0.6538 Remote Similarity NPC36061
0.6538 Remote Similarity NPC70387
0.6531 Remote Similarity NPC13105
0.6531 Remote Similarity NPC180534
0.6522 Remote Similarity NPC289686
0.6512 Remote Similarity NPC158179
0.65 Remote Similarity NPC179831
0.65 Remote Similarity NPC49151
0.65 Remote Similarity NPC262505
0.65 Remote Similarity NPC261991
0.65 Remote Similarity NPC254713
0.6491 Remote Similarity NPC201939
0.6491 Remote Similarity NPC469922
0.6491 Remote Similarity NPC469923
0.6481 Remote Similarity NPC477201
0.6481 Remote Similarity NPC18951
0.6458 Remote Similarity NPC172042
0.6458 Remote Similarity NPC166287
0.6429 Remote Similarity NPC317203
0.6429 Remote Similarity NPC469924
0.641 Remote Similarity NPC29561
0.641 Remote Similarity NPC221192
0.641 Remote Similarity NPC42403
0.641 Remote Similarity NPC222997
0.641 Remote Similarity NPC153439
0.641 Remote Similarity NPC196434
0.641 Remote Similarity NPC79887
0.641 Remote Similarity NPC4962
0.64 Remote Similarity NPC223675
0.6379 Remote Similarity NPC54925
0.6379 Remote Similarity NPC235788
0.6364 Remote Similarity NPC316546
0.6346 Remote Similarity NPC281245
0.6346 Remote Similarity NPC92114
0.6346 Remote Similarity NPC18357
0.6341 Remote Similarity NPC18224

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161097 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
0.9459 High Similarity NPD3206 Approved
0.9024 High Similarity NPD2699 Approved
0.875 High Similarity NPD2270 Approved
0.825 Intermediate Similarity NPD9448 Phase 2
0.825 Intermediate Similarity NPD633 Phase 3
0.814 Intermediate Similarity NPD3199 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6125 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD9655 Approved
0.7674 Intermediate Similarity NPD387 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD3728 Approved
0.74 Intermediate Similarity NPD3730 Approved
0.7174 Intermediate Similarity NPD634 Phase 3
0.7143 Intermediate Similarity NPD28 Approved
0.7143 Intermediate Similarity NPD29 Approved
0.7059 Intermediate Similarity NPD3729 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3186 Phase 1
0.6905 Remote Similarity NPD9449 Clinical (unspecified phase)
0.6731 Remote Similarity NPD3195 Phase 2
0.6731 Remote Similarity NPD4266 Approved
0.6731 Remote Similarity NPD3194 Approved
0.6731 Remote Similarity NPD3196 Approved
0.6538 Remote Similarity NPD3172 Approved
0.6531 Remote Similarity NPD622 Approved
0.6531 Remote Similarity NPD2266 Phase 2
0.6458 Remote Similarity NPD9430 Approved
0.6458 Remote Similarity NPD9431 Approved
0.6429 Remote Similarity NPD3198 Approved
0.6429 Remote Similarity NPD9447 Approved
0.6222 Remote Similarity NPD9450 Approved
0.6222 Remote Similarity NPD77 Approved
0.6122 Remote Similarity NPD3174 Discontinued
0.6111 Remote Similarity NPD615 Clinical (unspecified phase)
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD3197 Phase 1
0.6 Remote Similarity NPD9513 Phase 1
0.5952 Remote Similarity NPD5383 Approved
0.5952 Remote Similarity NPD2272 Approved
0.5882 Remote Similarity NPD5343 Approved
0.5873 Remote Similarity NPD8278 Approved
0.5849 Remote Similarity NPD9638 Phase 2
0.5814 Remote Similarity NPD900 Approved
0.5781 Remote Similarity NPD3725 Approved
0.5781 Remote Similarity NPD3726 Approved
0.5781 Remote Similarity NPD8277 Approved
0.5769 Remote Similarity NPD3173 Approved
0.5745 Remote Similarity NPD7536 Approved
0.5714 Remote Similarity NPD908 Approved
0.5714 Remote Similarity NPD907 Approved
0.5714 Remote Similarity NPD1461 Approved
0.561 Remote Similarity NPD62 Approved
0.5606 Remote Similarity NPD5777 Approved

Structure

External Identifiers

PubChem CID   8181
ChEMBL   CHEMBL335125
ZINC  

Physicochemical Properties

Molecular Weight:  270.26
ALogP:  -3.6467
MLogP:  3.11
XLogP:  7.891
# Rotatable Bonds:  17
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  0
# Heavy Atoms:  19

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