Natural Product: NPC131885

Natural Product ID:  NPC131885
Common Name:   Gamma-Fagarine
IUPAC Name:   4,8-dimethoxyfuro[2,3-b]quinoline
Synonyms:   4,8-Dimethoxyfuro[2,3-B]Quinoline; 8-Methoxy-Dictamine; Gamma-Fagarine
Molecular Formula:   C13H11NO3
Standard InCHIKey:  KFBCTNNQFGONHB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
Canonical SMILES:  COc1cccc2c1nc1occc1c2OC
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
NPO18135 Clausena vestita Species Rutaceae Eukaryota Whole Plants Yunnan Province, China 2008-JAN PMID[22093759]
NPO18723 Zanthoxylum avicennae Species Rutaceae Eukaryota stem wood Pakuashan, Changhua County, Taiwan 2006-JUN PMID[18211005]
NPO24547 Xanthoria parietina Species Teloschistaceae Eukaryota UNPD*
NPO15142 Echium plantagineum Species Boraginaceae Eukaryota UNPD*
NPO9814 Lactarius fuliginosus Species Russulaceae Eukaryota UNPD*
NPO4746 Centaurea arenaria Species Asteraceae Eukaryota UNPD*
NPO26538 Phellodendron chinese Species Rutaceae Eukaryota TM-MC*
NPO21390 Zanthoxylum integrifoliolum Species Rutaceae Eukaryota PMID[17822293]
NPO19895 Plectranthus hereroensis Species Lamiaceae Eukaryota UNPD*
NPO16801 Cota tinctoria Species Asteraceae Eukaryota UNPD*
NPO26203 Dysidea villosa Species Dysideidae Eukaryota UNPD*
NPO11119 Salta triflora Species Polygonaceae Eukaryota UNPD*
NPO13313 Talipariti tiliaceum Species Malvaceae Eukaryota UNPD*
NPO3965 Corynanthe pachyceras Species Rubiaceae Eukaryota UNPD*
NPO9361 Aplophyllum villosum NA NA NA UNPD*
NPO23710 Otholobium pubescens Species Fabaceae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota TCMID*
NPO17936 Glycosmis arborea Species Rutaceae Eukaryota PMID[15387647]
NPO23772 Tetradium glabrifolium Species Rutaceae Eukaryota UNPD*
NPO1109 Corydalis persica Species Papaveraceae Eukaryota UNPD*
NPO29028 Cicer cuneatum Species Fabaceae Eukaryota UNPD*
NPO29482 Zanthoxylum tsihanimposa Species Rutaceae Eukaryota TCMID*
NPO26601 Zanthoxylum wutaiense Species Rutaceae Eukaryota root wood PMID[18564877]
NPO14526 Plectranthus caninus Species Lamiaceae Eukaryota UNPD*
NPO25259 Schrebera swietenoides Species Oleaceae Eukaryota UNPD*
NPO11784 Sickingia rubra NA NA NA UNPD*
NPO19347 Dictamnus caucasicus Species Rutaceae Eukaryota TCMID*
NPO7344 Spiraea prunifolia Species Rosaceae Eukaryota UNPD*
NPO28500 Griselinia scandens Species Griseliniaceae Eukaryota UNPD*
NPO25833 Asclepias subulata Species Apocynaceae Eukaryota UNPD*
NPO340 Orixa japonica Species Rutaceae Eukaryota TCMID*
NPO25122 Conium maculatum Species Apiaceae Eukaryota UNPD*
NPO371 Courbonia virgata NA NA NA UNPD*
NPO24890 Iris sanguinea Species Iridaceae Eukaryota UNPD*
NPO22264 Inula salsoloides Species Asteraceae Eukaryota UNPD*
NPO17862 Zanthoxylum planispinum Species Rutaceae Eukaryota TCMID*
NPO26849 Parmelia zollingeri Species Parmeliaceae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota UNPD*
NPO9069 Persicaria tinctoria Species Polygonaceae Eukaryota UNPD*
NPO29321 Octopus octopodia Species Octopodidae Eukaryota UNPD*
NPO9553 Phyllodium pulchellum Species Fabaceae Eukaryota UNPD*
NPO24918 Jacobaea cannabifolia Species Asteraceae Eukaryota UNPD*
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota UNPD*
NPO5799 Streptomyces chryseus Species Streptomycetaceae Bacteria UNPD*
NPO28636 Vernonia lilacina Species Asteraceae Eukaryota UNPD*
NPO28961 Croton hutchinsonianus Species Euphorbiaceae Eukaryota UNPD*
NPO13278 Strychnos spinosa Species Loganiaceae Eukaryota UNPD*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota TCMID*
NPO24396 Grosvenoria rimbachii NA NA NA UNPD*
NPO12233 Diospyros peregrina Species Ebenaceae Eukaryota UNPD*
NPO23356 Ascodesmis sphaerospora Species Ascodesmidaceae Eukaryota UNPD*
NPO1329 Esenbeckia hartmanii Species Rutaceae Eukaryota UNPD*
NPO7521 Hygrophorus eburneus Species Hygrophoraceae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TCMID*
NPO14947 Lathyrus tingitanus Species Fabaceae Eukaryota UNPD*
NPO5470 Cynoglossum amabile Species Boraginaceae Eukaryota UNPD*
NPO617 Vicia balansae Species Fabaceae Eukaryota UNPD*
NPO15145 Rauvolfia salicifolia Species Apocynaceae Eukaryota UNPD*
NPO28639 Trixis grisebachii Species Asteraceae Eukaryota UNPD*
NPO5045 Aegle marmelos Species Rutaceae Eukaryota TCMID*
NPO7966 Grewia villosa Species Malvaceae Eukaryota UNPD*
NPO29180 Monachosorum maximowiczii Species Dennstaedtiaceae Eukaryota UNPD*
NPO25358 Senecio gilliesi Species Asteraceae Eukaryota UNPD*
NPO3560 Trifolium montanum Species Fabaceae Eukaryota UNPD*
NPO21916.1 Herbertus juniperoideus subsp. acanthelius Subspecies Herbertaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCMID*
NPO16406 Leptospermum recurvum Species Myrtaceae Eukaryota UNPD*
NPO9324 Notechis scutatus Species Elapidae Eukaryota UNPD*
NPO23588 Ursinia anthemoides Species Asteraceae Eukaryota UNPD*
NPO27603 Populus candicans Species Salicaceae Eukaryota UNPD*
NPO2330 Alchornea cordifolia Species Euphorbiaceae Eukaryota UNPD*
NPO19166 Helianthus niveus Species Asteraceae Eukaryota UNPD*
NPO8601 Petrosia volcano Species Petrosiidae Eukaryota UNPD*
NPO15233 Balanophora japonica Species Balanophoraceae Eukaryota UNPD*
NPO11333 Trapa japonica Species Lythraceae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota TCM_Taiwan*
NPO16936 Evea brasiliensis NA NA NA UNPD*
NPO17492 Amomum reticulatum Species Zingiberaceae Eukaryota UNPD*
NPO26789 Tephrosia bidwilli Species Geometridae Eukaryota UNPD*
NPO23911 Alpinia officinarum Species Zingiberaceae Eukaryota UNPD*
NPO6386 Gutenbergia cordifolia Species Asteraceae Eukaryota UNPD*
NPO17862 Zanthoxylum planispinum Species Rutaceae Eukaryota TCM_Taiwan*
NPO29073 Ipomoea carnea Species Convolvulaceae Eukaryota UNPD*
NPO24280 Helianthus californicus Species Asteraceae Eukaryota UNPD*
NPO11430 Inula grantioides Species Asteraceae Eukaryota UNPD*
NPO6906 Atalantia wightii Species Rutaceae Eukaryota UNPD*
NPO13526 Medicago hybrida Species Fabaceae Eukaryota UNPD*
NPO19347 Dictamnus caucasicus Species Rutaceae Eukaryota TCM_Taiwan*
NPO25406 Celastrus monospermus Species Celastraceae Eukaryota UNPD*
NPO26409 Plakortis simplex Species Plakinidae Eukaryota UNPD*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota UNPD*
NPO9031 Euonymus europaeus Species Celastraceae Eukaryota UNPD*
NPO29497 Delphinium speciosum Species Ranunculaceae Eukaryota UNPD*
NPO1267 Acronychia laurifolia Species Rutaceae Eukaryota UNPD*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota HerDing*
NPO6501 Glycosmis cochinchinensis Species Rutaceae Eukaryota UNPD*
NPO25802 Agave deserti Species Asparagaceae Eukaryota UNPD*
NPO26298 Zanthoxylum simulans Species Rutaceae Eukaryota UNPD*
NPO1040 Ficus conraui Species Moraceae Eukaryota UNPD*
NPO3963 Hortonia floribunda Species Monimiaceae Eukaryota UNPD*
NPO1759 Alexandrium excavatum Species Gonyaulacaceae Eukaryota UNPD*
NPO13848 Amomum daniellii Species Zingiberaceae Eukaryota UNPD*
NPO29482 Zanthoxylum tsihanimposa Species Rutaceae Eukaryota TCM_Taiwan*
NPO11564 Ruditapes philippinarum Species Veneridae Eukaryota UNPD*
NPO18997 Hernandia sonora Species Hernandiaceae Eukaryota UNPD*
NPO17231 Pycnarrhena australiana Species Menispermaceae Eukaryota UNPD*
NPO28943 Daldinia vernicosa Species Xylariaceae Eukaryota UNPD*
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria UNPD*
NPO27349 Rhododendron edgeworthii Species Ericaceae Eukaryota UNPD*
NPO340 Orixa japonica Species Rutaceae Eukaryota TCM_Taiwan*
NPO9783 Mikania scandens Species Asteraceae Eukaryota UNPD*
NPO9593 Anoectochilus koshunensis Species Orchidaceae Eukaryota UNPD*
NPO15572 Espeletiopsis purpurascens Species Asteraceae Eukaryota UNPD*
NPO1326 Cratystylis conocephala Species Asteraceae Eukaryota UNPD*
NPO18873.2 Salmonella enterica subsp. enterica serovar bovismorbificans Subspecies Enterobacteriaceae Bacteria UNPD*
NPO3854 Ruta graveolens Species Rutaceae Eukaryota TCM_Taiwan*
NPO12591 Archaster typicus Species Archasteridae Eukaryota UNPD*
NPO29035 Pseudomonas cichorii Species Pseudomonadaceae Bacteria UNPD*
NPO11475 Vernonia chloropappa Species Asteraceae Eukaryota UNPD*
NPO25073 Saccharina latissima Species Laminariaceae Eukaryota UNPD*
NPO5045 Aegle marmelos Species Rutaceae Eukaryota TCM_Taiwan*
NPO9119 Pterocladiella capillacea Species Gelidiaceae Eukaryota UNPD*
NPO29161 Hyptis urticoides Species Lamiaceae Eukaryota UNPD*
NPO5398 Peucedanum oroselinum Species Apiaceae Eukaryota UNPD*
NPO21284 Cynoglossum viridiflorum Species Boraginaceae Eukaryota UNPD*
NPO12819 Clitocybe subilludens Species Tricholomataceae Eukaryota UNPD*
NPO16000 Cetorhinus maximus Species Alopiidae Eukaryota UNPD*
NPO10098 Glycosmis pseudoracemosa Species Rutaceae Eukaryota UNPD*
NPO12487 Juniperus horizontalis Species Cupressaceae Eukaryota UNPD*
NPO26690 Lactarius subpiperatus Species Lactariidae Eukaryota UNPD*
NPO9290 Zanthoxylum piperitum Species Rutaceae Eukaryota TCM_Taiwan*
NPO28427 Gutenbergia marginata Species Asteraceae Eukaryota UNPD*
NPO28735 Helicia erratica Species Proteaceae Eukaryota UNPD*
NPO25201 Aglaia pyramidata Species Meliaceae Eukaryota UNPD*
NPO29518 Nardia scalaris Species Solenostomataceae Eukaryota UNPD*
NPO19672 Hosta sieboldiana Species Asparagaceae Eukaryota UNPD*
NPO11130 Dictamni cortex NA NA NA TCMSP*
NPO26160 Thielavia terricola Species Chaetomiaceae Eukaryota UNPD*
NPO15329 Rhizoplaca baranowii Species Lecanoraceae Eukaryota UNPD*
NPO13647 Calcarisporium thermophilum Species NA Eukaryota UNPD*
NPO28544 Podocalyx loranthoides Species Picrodendraceae Eukaryota UNPD*
NPO24038 Casimiroa edulis Species Rutaceae Eukaryota UNPD*
NPO23398 Caralluma russeliana Species Apocynaceae Eukaryota UNPD*
NPO25714 Solanum spirale Species Solanaceae Eukaryota UNPD*
NPO29688 Coptidis rhizoma NA NA NA TCMSP*
NPO23822 Polypodium aureum Species Polypodiaceae Eukaryota UNPD*
NPO24478 Morinda coreia Species Rubiaceae Eukaryota UNPD*
NPO18014 Gracilaria eucheumoides Species Gracilariaceae Eukaryota UNPD*
NPO587 Saussurea stella Species Asteraceae Eukaryota UNPD*
NPO20774 Phellodendri chinrnsis cortex NA NA NA TCMSP*
NPO17624 Spatoglossum pacificum Species Dictyotaceae Eukaryota UNPD*
NPO22899 Phaeotremella fagi Species Phaeotremellaceae Eukaryota UNPD*
NPO13941 Aeollanthus buchnerianus Species Lamiaceae Eukaryota UNPD*
NPO23490 Dalbergia monetaria Species Fabaceae Eukaryota UNPD*
NPO2017 Poa sphondylodes Species Poaceae Eukaryota UNPD*
NPO29461 Sarcophyton infundibuliforme Species Orchidaceae Eukaryota UNPD*
NPO25248 Gloydius blomhoffii Species Viperidae Eukaryota UNPD*
NPO9989 Cotylelobium scabriusculum Species Dipterocarpaceae Eukaryota UNPD*
NPO3761 Plectosphaerella cucumerina Species Plectosphaerellaceae Eukaryota UNPD*
NPO14640 Uresiphita reversalis Species Crambidae Eukaryota UNPD*
NPO29387 Eudendrium racemosum Species Eudendriidae Eukaryota UNPD*
NPO12367 Diospyros elliptifolia Species Ebenaceae Eukaryota UNPD*
NPO3005 Passiflora morifolia Species Passifloraceae Eukaryota UNPD*
NPO103 Stereocaulon salazinum Species Stereocaulaceae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota TM-MC*
NPO29070 Bulbine asphodeloides Species Asphodelaceae Eukaryota UNPD*
NPO29095 Yucca elata Species Asparagaceae Eukaryota UNPD*
NPO20279 Parmelia damaziana Species Parmeliaceae Eukaryota UNPD*
NPO26992 Sophora leachiana Species Fabaceae Eukaryota UNPD*
NPO24476 Phellodendron amurense Species Rutaceae Eukaryota TM-MC*
NPO22890 Eutrochium purpureum Species Asteraceae Eukaryota UNPD*
NPO5451 Ageratina saltillensis Species Asteraceae Eukaryota UNPD*
NPO13042 Diospyros abyssinica Species Ebenaceae Eukaryota UNPD*
NPO13555 Beaucarnea recurvata Species Asparagaceae Eukaryota UNPD*
NPO22242 Phellodendron chinense Species Rutaceae Eukaryota TM-MC*
NPO7870 Zanthoxylum piperitum Species Rutaceae Eukaryota UNPD*
NPO5131 Scorzonera hispanica Species Asteraceae Eukaryota UNPD*
NPO12658 Melipotis perpendicularis Species Noctuidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2740 Cell Line Neutrophils IC50 > 100000 nM 17822293
NPT2 Others Unspecified IC50 > 50000 nM 18211005
NPT2 Others Unspecified IC50 = 31310 nM 18211005
NPT2 Others Unspecified Activity = 15.4 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 15387647
NPT2 Others Unspecified Activity = 38.2 % 15387647
NPT2 Others Unspecified Activity = 77.7 % 15387647
NPT2 Others Unspecified Activity = 100 % 15387647
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 30 ug/ml 18564877
NPT2 Others Unspecified IC50 = 7.17 ug/ml 19128011
NPT2 Others Unspecified Inhibition = 19.1 % 19128011
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT536 Uncleic Acid microRNA 21 Homo sapiens Potency = 18492.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 130 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 3981.1 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT863 Individual Protein Trypsin Sus scrofa AC50 = 9778 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 26854.5 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 22387.2 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens IC50 > 160000 nM 22093759
NPT1474 Individual Protein ATP-dependent Clp protease proteolytic subunit Bacillus subtilis (strain 168) Potency 15848.9 nM PubChem BioAssay data set
NPT157 Individual Protein Breast cancer type 1 susceptibility protein Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT204 Individual Protein Acetylcholinesterase Homo sapiens Inhibition = 24.3 % 10.1007/s00044-011-9581-9
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 39810.7 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 NPC131885 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
0.9648 High Similarity NPC205372
0.9602 High Similarity NPC140296
0.9343 High Similarity NPC16066
0.9337 High Similarity NPC269367
0.9231 High Similarity NPC34770
0.8972 High Similarity NPC166712
0.8971 High Similarity NPC298436
0.893 High Similarity NPC160100
0.893 High Similarity NPC208364
0.8848 High Similarity NPC58209
0.8767 High Similarity NPC173250
0.8756 High Similarity NPC97746
0.8727 High Similarity NPC203373
0.8638 High Similarity NPC217176
0.8533 High Similarity NPC120513
0.8364 Intermediate Similarity NPC168922
0.8271 Intermediate Similarity NPC314633
0.8251 Intermediate Similarity NPC188400
0.8142 Intermediate Similarity NPC1608
0.8136 Intermediate Similarity NPC101312
0.8095 Intermediate Similarity NPC187501
0.8039 Intermediate Similarity NPC112937
0.8 Intermediate Similarity NPC208084
0.7881 Intermediate Similarity NPC230683
0.785 Intermediate Similarity NPC39500
0.7834 Intermediate Similarity NPC288987
0.7798 Intermediate Similarity NPC225279
0.7738 Intermediate Similarity NPC179287
0.7706 Intermediate Similarity NPC184408
0.7674 Intermediate Similarity NPC146418
0.7673 Intermediate Similarity NPC42591
0.7647 Intermediate Similarity NPC185197
0.7626 Intermediate Similarity NPC46561
0.7606 Intermediate Similarity NPC45190
0.7597 Intermediate Similarity NPC161801
0.7577 Intermediate Similarity NPC329631
0.7568 Intermediate Similarity NPC144452
0.7566 Intermediate Similarity NPC474688
0.7558 Intermediate Similarity NPC308137
0.7558 Intermediate Similarity NPC310211
0.7546 Intermediate Similarity NPC219664
0.7544 Intermediate Similarity NPC39370
0.7533 Intermediate Similarity NPC473186
0.7524 Intermediate Similarity NPC45389
0.7523 Intermediate Similarity NPC198503
0.75 Intermediate Similarity NPC230403
0.7488 Intermediate Similarity NPC249583
0.7477 Intermediate Similarity NPC203168
0.7449 Intermediate Similarity NPC118511
0.743 Intermediate Similarity NPC317572
0.7416 Intermediate Similarity NPC475190
0.7409 Intermediate Similarity NPC118228
0.7409 Intermediate Similarity NPC116238
0.7407 Intermediate Similarity NPC283117
0.7403 Intermediate Similarity NPC477589
0.7403 Intermediate Similarity NPC477587
0.7401 Intermediate Similarity NPC274640
0.7387 Intermediate Similarity NPC247803
0.7379 Intermediate Similarity NPC194040
0.7361 Intermediate Similarity NPC300156
0.7353 Intermediate Similarity NPC474798
0.7352 Intermediate Similarity NPC294375
0.7349 Intermediate Similarity NPC41216
0.7343 Intermediate Similarity NPC66083
0.7342 Intermediate Similarity NPC169402
0.7339 Intermediate Similarity NPC477590
0.7339 Intermediate Similarity NPC477586
0.7339 Intermediate Similarity NPC477588
0.7339 Intermediate Similarity NPC477585
0.7328 Intermediate Similarity NPC6786
0.7327 Intermediate Similarity NPC321428
0.7321 Intermediate Similarity NPC150239
0.7309 Intermediate Similarity NPC174576
0.7308 Intermediate Similarity NPC475844
0.7304 Intermediate Similarity NPC196718
0.7304 Intermediate Similarity NPC102593
0.728 Intermediate Similarity NPC473188
0.7273 Intermediate Similarity NPC144381
0.7251 Intermediate Similarity NPC279401
0.7251 Intermediate Similarity NPC79293
0.7248 Intermediate Similarity NPC4687
0.7244 Intermediate Similarity NPC174760
0.7243 Intermediate Similarity NPC280714
0.724 Intermediate Similarity NPC474428
0.724 Intermediate Similarity NPC38237
0.7237 Intermediate Similarity NPC470018
0.7234 Intermediate Similarity NPC148889
0.7224 Intermediate Similarity NPC209981
0.7222 Intermediate Similarity NPC66815
0.7215 Intermediate Similarity NPC287208
0.7206 Intermediate Similarity NPC283152
0.7205 Intermediate Similarity NPC257851
0.7188 Intermediate Similarity NPC293151
0.7186 Intermediate Similarity NPC474701
0.7162 Intermediate Similarity NPC264176
0.7162 Intermediate Similarity NPC472098
0.7156 Intermediate Similarity NPC470930
0.7149 Intermediate Similarity NPC51388
0.7149 Intermediate Similarity NPC94842
0.7143 Intermediate Similarity NPC242928
0.7137 Intermediate Similarity NPC280799
0.7137 Intermediate Similarity NPC196449
0.7137 Intermediate Similarity NPC314222
0.7117 Intermediate Similarity NPC87413
0.7113 Intermediate Similarity NPC72715
0.7104 Intermediate Similarity NPC185782
0.7095 Intermediate Similarity NPC165964
0.7085 Intermediate Similarity NPC26679
0.7083 Intermediate Similarity NPC128823
0.7073 Intermediate Similarity NPC288943
0.7072 Intermediate Similarity NPC470020
0.7068 Intermediate Similarity NPC470042
0.7067 Intermediate Similarity NPC3207
0.7059 Intermediate Similarity NPC124300
0.7056 Intermediate Similarity NPC74575
0.7054 Intermediate Similarity NPC476287
0.7045 Intermediate Similarity NPC304183
0.7029 Intermediate Similarity NPC291609
0.702 Intermediate Similarity NPC53534
0.7018 Intermediate Similarity NPC472099
0.7014 Intermediate Similarity NPC193238
0.7009 Intermediate Similarity NPC49547
0.7005 Intermediate Similarity NPC26872
0.7005 Intermediate Similarity NPC220408
0.6996 Remote Similarity NPC67401
0.6992 Remote Similarity NPC470017
0.699 Remote Similarity NPC84347
0.6985 Remote Similarity NPC26850
0.6983 Remote Similarity NPC157931
0.6982 Remote Similarity NPC210828
0.6982 Remote Similarity NPC82548
0.6982 Remote Similarity NPC86834
0.6978 Remote Similarity NPC324361
0.6978 Remote Similarity NPC232225
0.6976 Remote Similarity NPC282346
0.6971 Remote Similarity NPC310618
0.6964 Remote Similarity NPC220337
0.6964 Remote Similarity NPC23294
0.6957 Remote Similarity NPC216612
0.6955 Remote Similarity NPC245816
0.6955 Remote Similarity NPC476138
0.6952 Remote Similarity NPC320394
0.6949 Remote Similarity NPC253675
0.6946 Remote Similarity NPC119134
0.6943 Remote Similarity NPC469439
0.6942 Remote Similarity NPC303225
0.6932 Remote Similarity NPC227824
0.6926 Remote Similarity NPC322482
0.6923 Remote Similarity NPC258048
0.692 Remote Similarity NPC303951
0.692 Remote Similarity NPC473187
0.6917 Remote Similarity NPC72905
0.6916 Remote Similarity NPC470799
0.6916 Remote Similarity NPC8022
0.6912 Remote Similarity NPC267928
0.6906 Remote Similarity NPC39679
0.69 Remote Similarity NPC148409
0.6897 Remote Similarity NPC473449
0.6894 Remote Similarity NPC260434
0.6892 Remote Similarity NPC472287
0.6892 Remote Similarity NPC472286
0.6891 Remote Similarity NPC472061
0.6888 Remote Similarity NPC75179
0.6888 Remote Similarity NPC142385
0.688 Remote Similarity NPC194740
0.688 Remote Similarity NPC471762
0.6875 Remote Similarity NPC209769
0.6875 Remote Similarity NPC174672
0.6875 Remote Similarity NPC174758
0.6872 Remote Similarity NPC62069
0.687 Remote Similarity NPC323969
0.6864 Remote Similarity NPC470586
0.6861 Remote Similarity NPC53344
0.6853 Remote Similarity NPC152620
0.6847 Remote Similarity NPC132539
0.6842 Remote Similarity NPC152768
0.6842 Remote Similarity NPC472435
0.6842 Remote Similarity NPC148183
0.6838 Remote Similarity NPC478078
0.6828 Remote Similarity NPC89508
0.6827 Remote Similarity NPC286195
0.6825 Remote Similarity NPC100734
0.6825 Remote Similarity NPC315634
0.6825 Remote Similarity NPC88923
0.682 Remote Similarity NPC240384
0.682 Remote Similarity NPC470022
0.682 Remote Similarity NPC184680
0.6818 Remote Similarity NPC316224
0.6814 Remote Similarity NPC9894
0.6812 Remote Similarity NPC305984
0.6812 Remote Similarity NPC312645
0.681 Remote Similarity NPC478032
0.6808 Remote Similarity NPC204385
0.6802 Remote Similarity NPC475774
0.68 Remote Similarity NPC191489
0.6798 Remote Similarity NPC477979
0.6792 Remote Similarity NPC470785
0.6789 Remote Similarity NPC133609
0.6789 Remote Similarity NPC137353
0.6786 Remote Similarity NPC270918

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC131885 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
0.8 Intermediate Similarity NPD2778 Approved
0.7944 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD2779 Approved
0.7793 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD3945 Discontinued
0.7591 Intermediate Similarity NPD6974 Phase 3
0.7577 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD1505 Phase 2
0.7512 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD1867 Approved
0.7489 Intermediate Similarity NPD1466 Phase 3
0.7489 Intermediate Similarity NPD1467 Approved
0.7489 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD2951 Discontinued
0.7466 Intermediate Similarity NPD4429 Discontinued
0.7445 Intermediate Similarity NPD5022 Discontinued
0.7445 Intermediate Similarity NPD4898 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3507 Phase 2
0.7422 Intermediate Similarity NPD6247 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD3257 Approved
0.7409 Intermediate Similarity NPD4667 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7180 Phase 3
0.7384 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD6716 Phase 1
0.7346 Intermediate Similarity NPD5512 Phase 3
0.7345 Intermediate Similarity NPD3925 Approved
0.733 Intermediate Similarity NPD5293 Phase 2
0.733 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5479 Discontinued
0.7288 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7853 Phase 2
0.7284 Intermediate Similarity NPD3006 Discontinued
0.7282 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD3258 Approved
0.7273 Intermediate Similarity NPD5416 Discontinued
0.7257 Intermediate Similarity NPD2285 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5632 Approved
0.7217 Intermediate Similarity NPD5924 Discontinued
0.7212 Intermediate Similarity NPD5256 Discontinued
0.7205 Intermediate Similarity NPD4328 Approved
0.7191 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD5429 Discontinued
0.7156 Intermediate Similarity NPD7395 Discontinued
0.7155 Intermediate Similarity NPD7031 Phase 1
0.7149 Intermediate Similarity NPD3392 Approved
0.7143 Intermediate Similarity NPD4952 Phase 3
0.7111 Intermediate Similarity NPD5443 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD5482 Discontinued
0.7087 Intermediate Similarity NPD3263 Phase 3
0.7072 Intermediate Similarity NPD2081 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD3250 Phase 1
0.7059 Intermediate Similarity NPD7467 Discontinued
0.7056 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD8102 Discontinued
0.7051 Intermediate Similarity NPD4373 Phase 2
0.704 Intermediate Similarity NPD7703 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD4958 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD1638 Discovery
0.7017 Intermediate Similarity NPD7417 Discontinued
0.7017 Intermediate Similarity NPD6790 Phase 1
0.7008 Intermediate Similarity NPD8463 Approved
0.6996 Remote Similarity NPD1659 Phase 1
0.6996 Remote Similarity NPD648 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3875 Discontinued
0.6974 Remote Similarity NPD2884 Phase 1
0.6962 Remote Similarity NPD1955 Discontinued
0.6962 Remote Similarity NPD4368 Phase 2
0.6957 Remote Similarity NPD5922 Phase 3
0.6948 Remote Similarity NPD2565 Phase 2
0.6948 Remote Similarity NPD2564 Approved
0.6944 Remote Similarity NPD6550 Discontinued
0.6941 Remote Similarity NPD6321 Discontinued
0.6923 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6917 Remote Similarity NPD7022 Phase 2
0.6901 Remote Similarity NPD5488 Discontinued
0.6901 Remote Similarity NPD5817 Discontinued
0.6888 Remote Similarity NPD6495 Clinical (unspecified phase)
0.6878 Remote Similarity NPD4724 Clinical (unspecified phase)
0.687 Remote Similarity NPD5850 Phase 3
0.687 Remote Similarity NPD5532 Phase 2
0.6861 Remote Similarity NPD7222 Phase 2
0.6857 Remote Similarity NPD4203 Approved
0.6857 Remote Similarity NPD4204 Approved
0.6844 Remote Similarity NPD4369 Phase 2
0.6835 Remote Similarity NPD5003 Discontinued
0.6829 Remote Similarity NPD5857 Phase 3
0.6825 Remote Similarity NPD7803 Approved
0.6822 Remote Similarity NPD6962 Phase 2
0.682 Remote Similarity NPD946 Discontinued
0.682 Remote Similarity NPD6861 Clinical (unspecified phase)
0.682 Remote Similarity NPD4418 Discontinued
0.6816 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6815 Remote Similarity NPD6961 Discontinued
0.6802 Remote Similarity NPD6252 Clinical (unspecified phase)
0.6802 Remote Similarity NPD5513 Phase 2
0.6802 Remote Similarity NPD2311 Clinical (unspecified phase)
0.68 Remote Similarity NPD7708 Approved
0.6797 Remote Similarity NPD6242 Discontinued
0.6795 Remote Similarity NPD5640 Discontinued
0.6784 Remote Similarity NPD5866 Approved
0.678 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6777 Remote Similarity NPD4322 Discontinued
0.6767 Remote Similarity NPD4923 Phase 1
0.6766 Remote Similarity NPD3259 Approved
0.676 Remote Similarity NPD7955 Approved
0.676 Remote Similarity NPD7956 Approved
0.6759 Remote Similarity NPD5450 Discontinued
0.6758 Remote Similarity NPD6988 Phase 1
0.6751 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6743 Remote Similarity NPD6590 Discontinued
0.6727 Remote Similarity NPD772 Phase 3
0.6723 Remote Similarity NPD7426 Phase 1
0.6723 Remote Similarity NPD3746 Discontinued
0.6722 Remote Similarity NPD4394 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7069 Discontinued
0.6711 Remote Similarity NPD7453 Approved
0.6711 Remote Similarity NPD7452 Approved
0.6698 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6694 Remote Similarity NPD8100 Phase 3
0.6667 Remote Similarity NPD4353 Phase 2
0.6667 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6654 Remote Similarity NPD6456 Discontinued
0.664 Remote Similarity NPD4558 Phase 2
0.6638 Remote Similarity NPD6568 Discontinued
0.6637 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6636 Remote Similarity NPD3477 Phase 2
0.6636 Remote Similarity NPD3478 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3801 Clinical (unspecified phase)
0.6624 Remote Similarity NPD7994 Phase 2
0.6613 Remote Similarity NPD3986 Discontinued
0.6613 Remote Similarity NPD8101 Phase 3
0.6604 Remote Similarity NPD3920 Phase 2
0.66 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6599 Remote Similarity NPD3328 Phase 2
0.6599 Remote Similarity NPD7868 Clinical (unspecified phase)
0.6594 Remote Similarity NPD4502 Phase 2
0.6593 Remote Similarity NPD4305 Clinical (unspecified phase)
0.6593 Remote Similarity NPD3003 Approved
0.6591 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6583 Remote Similarity NPD7797 Approved
0.6583 Remote Similarity NPD4885 Approved
0.6583 Remote Similarity NPD7796 Approved
0.6582 Remote Similarity NPD7603 Discontinued
0.6581 Remote Similarity NPD8479 Phase 2
0.6581 Remote Similarity NPD7690 Clinical (unspecified phase)
0.658 Remote Similarity NPD4897 Phase 2
0.6578 Remote Similarity NPD2920 Discontinued
0.6575 Remote Similarity NPD4372 Phase 1
0.6573 Remote Similarity NPD9510 Approved
0.6573 Remote Similarity NPD1936 Clinical (unspecified phase)
0.6571 Remote Similarity NPD1483 Discontinued
0.6565 Remote Similarity NPD4927 Discontinued
0.6565 Remote Similarity NPD7872 Phase 2
0.6557 Remote Similarity NPD7886 Phase 2
0.6557 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7885 Phase 2
0.6556 Remote Similarity NPD6223 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4460 Clinical (unspecified phase)
0.655 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6547 Remote Similarity NPD1768 Approved
0.6546 Remote Similarity NPD6475 Phase 2
0.6543 Remote Similarity NPD3488 Phase 1
0.6542 Remote Similarity NPD9362 Approved
0.6542 Remote Similarity NPD5139 Phase 1
0.6538 Remote Similarity NPD2785 Clinical (unspecified phase)
0.6537 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6535 Remote Similarity NPD6228 Discontinued
0.6527 Remote Similarity NPD5559 Phase 2
0.6524 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6516 Remote Similarity NPD6251 Discontinued
0.6509 Remote Similarity NPD6140 Clinical (unspecified phase)
0.6506 Remote Similarity NPD6172 Clinical (unspecified phase)
0.6505 Remote Similarity NPD9705 Discontinued
0.6505 Remote Similarity NPD112 Approved
0.6504 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6502 Remote Similarity NPD4987 Clinical (unspecified phase)
0.65 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6495 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6492 Remote Similarity NPD8359 Phase 2
0.6478 Remote Similarity NPD3264 Phase 3
0.6476 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6473 Remote Similarity NPD6874 Approved
0.6468 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6468 Remote Similarity NPD1034 Phase 3
0.6463 Remote Similarity NPD5658 Approved
0.6457 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6453 Remote Similarity NPD6719 Approved
0.6453 Remote Similarity NPD5164 Discontinued
0.6448 Remote Similarity NPD7925 Phase 2
0.6448 Remote Similarity NPD7924 Phase 2
0.6447 Remote Similarity NPD6150 Discontinued
0.6447 Remote Similarity NPD7001 Phase 3
0.6447 Remote Similarity NPD5601 Phase 2
0.6438 Remote Similarity NPD2792 Approved
0.6438 Remote Similarity NPD6608 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   107936
ChEMBL   CHEMBL252925
ZINC  

Physicochemical Properties

Molecular Weight:  229.07
ALogP:  -0.2577
MLogP:  2.45
XLogP:  2.068
# Rotatable Bonds:  4
Polar Surface Area:  44.49
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  17

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Biological Activities  
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