Natural Product: NPC217226

Natural Product ID:  NPC217226
Common Name:   Furfural
IUPAC Name:   furan-2-carbaldehyde
Synonyms:   Furan-2-carbaldehyde
Molecular Formula:   C5H4O2
Standard InCHIKey:  HYBBIBNJHNGZAN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
Canonical SMILES:  O=Cc1ccco1
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
NPO1099 Capparis spinosa Species Capparaceae Eukaryota aerial parts and buds Cagliari, Sardinia 2012-FEB PMID[22769561]
NPO20949 Paederiae scandentis herba NA NA NA TCMSP*
NPO25292 Achyranthis bidentatae radix NA NA NA TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TM-MC*
NPO2028 Campsis grandiflora Species Bignoniaceae Eukaryota TCMID*
NPO29641 Rhododendri daurici folium NA NA NA TCMSP*
NPO7763 Citri reticulatae folium NA NA NA TCMSP*
NPO10082 Citrus unshiu Species Rutaceae Eukaryota TM-MC*
NPO12407 Herba cichorii NA NA NA TCMID*
NPO5946 Caryophylliflos NA NA NA TCMSP*
NPO17960 Citri fructus retinervus NA NA NA TCMSP*
NPO22033 Cnidium officinale Species Apiaceae Eukaryota TM-MC*
NPO24062 Radix pseudostellariae Species Lymnaeidae Eukaryota TCMID*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO29558 Anemarrhenae rhizoma NA NA NA TCMSP*
NPO12011 Crataegus pinnatifida Species Rosaceae Eukaryota TM-MC*
NPO11045 Paederia scandens Species Rubiaceae Eukaryota TCMID*
NPO4737 Arum ternatum thunb Species Araceae Eukaryota TCMSP*
NPO2203 Flos genkwa Species Lycaenidae Eukaryota TCMSP*
NPO22741 Curcuma kwangsiensis Species Zingiberaceae Eukaryota TM-MC*
NPO28679 Prunus mume Species Rosaceae Eukaryota TCMID*
NPO29545 Capsici fructus NA NA NA TCMSP*
NPO2841.2 Streptomyces cavourensis sy224 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota TM-MC*
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota TCMID*
NPO2618 Curcuma wenyujin Species Zingiberaceae Eukaryota TM-MC*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TM-MC*
NPO23448 Vinegar NA NA NA TCMID*
NPO29721 Cuscutae semen NA NA NA TCMSP*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota TM-MC*
NPO26969 Sagittaria sagittifolia Species Alismataceae Eukaryota TCMID*
NPO1920 Podocarpus elongata Species Podocarpaceae Eukaryota UNPD*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO13879 Humulus lupulus Species Cannabaceae Eukaryota TM-MC*
NPO24267 Paeonia veitchii Species Paeoniaceae Eukaryota TCMID*
NPO997 Peltodon longipes Species Lamiaceae Eukaryota UNPD*
NPO8624 Artemisiae scopariae herba NA NA NA TCMSP*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO18951 Ligusticum sinense Species Apiaceae Eukaryota TM-MC*
NPO8666 Acorus tatarinowii Species Acoraceae Eukaryota TCMID*
NPO8455 Magnolia officinalis rehd et wils Species Magnoliaceae Eukaryota TCMSP*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO11474 Ligusticum jeholense Species Apiaceae Eukaryota TM-MC*
NPO9394 Herba artemisiae scopariae NA NA NA TCMID*
NPO2853 Eschweilera coriacea Species Lecythidaceae Eukaryota UNPD*
NPO29618 Citri grandis exocarpium NA NA NA TCMSP*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO2154 Ligusticum tenuissimum Species Apiaceae Eukaryota TM-MC*
NPO1493 Hericium erinaceus Species Hericiaceae Eukaryota TCMID*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCM_Taiwan*
NPO13337 Sinapis semen Species Brassicaceae Eukaryota TCMSP*
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCM_Taiwan*
NPO29654 Lonicerae japonicae flos NA NA NA TCMSP*
NPO25951 Chuanxiong rhizoma NA NA NA TCMSP*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*
NPO14650 Lobelia chinensis Species Campanulaceae Eukaryota TM-MC*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO29643 Mume fructus NA NA NA TCMSP*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[22284503]
NPO17506 Semen pharbitidis NA NA NA TCMSP*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO23429 Lycium barbarum Species Solanaceae Eukaryota TM-MC*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TM-MC*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TM-MC*
NPO18681 Artemisia scoparia Species Asteraceae Eukaryota TCM_Taiwan*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO20414 Ocimum basilicum Species Lamiaceae Eukaryota TCM_Taiwan*
NPO29585 Pseudostellariae radix NA NA NA TCMSP*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO20513 Codium fragile Species Codiaceae Eukaryota TCM_Taiwan*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota HerDing*
NPO29637 Phragmitis rhizoma NA NA NA TCMSP*
NPO25825 Saussurea costus Species Asteraceae Eukaryota TM-MC*
NPO22104 Trifolium pratense Species Fabaceae Eukaryota TCM_Taiwan*
NPO29719 Ginkgo biloba Species Ginkgoaceae Eukaryota TCMSP*
NPO26378 Bistorta manshuriensis Species Polygonaceae Eukaryota TM-MC*
NPO30123 Porphyra tenera Species Bangiaceae Eukaryota TCM_Taiwan*
NPO29653 Hippophae fructus Species Elaeagnaceae Eukaryota TCMSP*
NPO29007 Brassica juncea Species Brassicaceae Eukaryota TM-MC*
NPO3061 Alisma orientalis Species Alismataceae Eukaryota TCM_Taiwan*
NPO7727 Momordicae fructus NA NA NA TCMSP*
NPO29401 Bupleurum chinense Species Apiaceae Eukaryota TM-MC*
NPO31579 Artemisia capillaries Species Asteraceae Eukaryota TCM_Taiwan*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO3107 Bupleurum falcatum Species Apiaceae Eukaryota TM-MC*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota TCM_Taiwan*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCMSP*
NPO1484 Bupleurum scorzonerifolium Species Apiaceae Eukaryota TM-MC*
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TM-MC*
NPO5665 Ulva pertusa Species Ulvaceae Eukaryota UNPD*
NPO16501 Capsicum annuum Species Solanaceae Eukaryota TM-MC*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TM-MC*
NPO6621 Salvadora persica Species Salvadoraceae Eukaryota UNPD*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO784 Sinapis alba Species Brassicaceae Eukaryota TM-MC*
NPO3809 Eucalyptus cladocalyx Species Myrtaceae Eukaryota UNPD*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO2943 Sraitia grosvenorii NA NA NA TM-MC*
NPO23741 Aspergillus violaceus Species Aspergillaceae Eukaryota UNPD*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*
NPO19552 Notoginseng flos NA NA NA TCMSP*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO18101 Cicuta virosa Species Apiaceae Eukaryota TCMID*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO27288 Citrus maxima Species Rutaceae Eukaryota TM-MC*
NPO21707 Trichosanthes kirilowii Species Cucurbitaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT200 Individual Protein SARS coronavirus 3C-like proteinase SARS coronavirus Inhibition = 23 % 17381079
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 63.1 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 0.4 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 8412.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 37 % 21476569
NPT2933 Individual Protein Aldehyde oxidase Oryctolagus cuniculus IC50 = 700000 nM 21476569
NPT2 Others Unspecified IC50 > 1000000 nM 21476569
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 43000 nM 21476569
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 24.1 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 8.5 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 11.4 ug/ml 20925380
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 8.5 ug/ml 22769561
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 11.4 ug/ml 22769561
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 8.5 ug/ml 23136941
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 41.1 ug/ml 23136941
NPT449 Organism Meloidogyne javanica Meloidogyne javanica EC50 = 21.79 ug/ml 22224661
NPT449 Organism Meloidogyne javanica Meloidogyne javanica EC50 > 25 ug/ml 22224661
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 8 ug/ml 23379671
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC100 = 11 ug/ml 23379671
NPT2 Others Unspecified Potency 49 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 275.4 nM PubChem BioAssay data set
NPT1 Others Radical scavenging activity IC50 = 214777000 nM 25278230
NPT2 Others Unspecified Potency 74383.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18839.8 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 NPC217226 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
0.9495 High Similarity NPC219969
0.9263 High Similarity NPC146316
0.9029 High Similarity NPC229387
0.8952 High Similarity NPC311987
0.8932 High Similarity NPC209111
0.8889 High Similarity NPC156768
0.8824 High Similarity NPC298087
0.866 High Similarity NPC233791
0.8624 High Similarity NPC107482
0.8462 Intermediate Similarity NPC42471
0.8142 Intermediate Similarity NPC244293
0.8036 Intermediate Similarity NPC328451
0.8018 Intermediate Similarity NPC292036
0.7931 Intermediate Similarity NPC272487
0.7876 Intermediate Similarity NPC476014
0.7876 Intermediate Similarity NPC476031
0.7876 Intermediate Similarity NPC474987
0.7788 Intermediate Similarity NPC205523
0.7739 Intermediate Similarity NPC291619
0.7739 Intermediate Similarity NPC254958
0.7739 Intermediate Similarity NPC21831
0.7739 Intermediate Similarity NPC187547
0.7706 Intermediate Similarity NPC140688
0.7672 Intermediate Similarity NPC244862
0.7672 Intermediate Similarity NPC67345
0.7652 Intermediate Similarity NPC217180
0.7652 Intermediate Similarity NPC312525
0.7586 Intermediate Similarity NPC206007
0.7553 Intermediate Similarity NPC225539
0.7521 Intermediate Similarity NPC52035
0.7479 Intermediate Similarity NPC174915
0.7479 Intermediate Similarity NPC270807
0.7459 Intermediate Similarity NPC184391
0.7391 Intermediate Similarity NPC252004
0.7373 Intermediate Similarity NPC137710
0.7368 Intermediate Similarity NPC22678
0.7355 Intermediate Similarity NPC118853
0.7339 Intermediate Similarity NPC50583
0.7328 Intermediate Similarity NPC11821
0.7321 Intermediate Similarity NPC473356
0.7321 Intermediate Similarity NPC471521
0.7265 Intermediate Similarity NPC76844
0.7257 Intermediate Similarity NPC177331
0.7227 Intermediate Similarity NPC4898
0.7203 Intermediate Similarity NPC131801
0.7203 Intermediate Similarity NPC227660
0.7179 Intermediate Similarity NPC28054
0.7177 Intermediate Similarity NPC141059
0.7165 Intermediate Similarity NPC473982
0.7154 Intermediate Similarity NPC473885
0.7154 Intermediate Similarity NPC471074
0.713 Intermediate Similarity NPC105249
0.713 Intermediate Similarity NPC57879
0.7121 Intermediate Similarity NPC325857
0.7119 Intermediate Similarity NPC316062
0.7119 Intermediate Similarity NPC45536
0.7107 Intermediate Similarity NPC115859
0.7097 Intermediate Similarity NPC83301
0.7083 Intermediate Similarity NPC473969
0.7069 Intermediate Similarity NPC1811
0.7069 Intermediate Similarity NPC26157
0.7 Intermediate Similarity NPC243704
0.6983 Remote Similarity NPC54626
0.6975 Remote Similarity NPC79202
0.6975 Remote Similarity NPC59035
0.6953 Remote Similarity NPC475092
0.6935 Remote Similarity NPC65735
0.6935 Remote Similarity NPC11799
0.6935 Remote Similarity NPC188377
0.6935 Remote Similarity NPC141252
0.6929 Remote Similarity NPC59502
0.6923 Remote Similarity NPC160294
0.6909 Remote Similarity NPC132725
0.6899 Remote Similarity NPC471817
0.6897 Remote Similarity NPC183648
0.6885 Remote Similarity NPC246214
0.688 Remote Similarity NPC474829
0.6864 Remote Similarity NPC53953
0.6842 Remote Similarity NPC177262
0.6838 Remote Similarity NPC27220
0.6838 Remote Similarity NPC23332
0.6833 Remote Similarity NPC470860
0.6829 Remote Similarity NPC474136
0.6829 Remote Similarity NPC1848
0.6829 Remote Similarity NPC97566
0.6829 Remote Similarity NPC79557
0.6825 Remote Similarity NPC470858
0.6825 Remote Similarity NPC216810
0.6822 Remote Similarity NPC477645
0.6794 Remote Similarity NPC200718
0.6794 Remote Similarity NPC106247
0.6777 Remote Similarity NPC208906
0.6777 Remote Similarity NPC144745
0.6774 Remote Similarity NPC263870
0.6774 Remote Similarity NPC289911
0.6774 Remote Similarity NPC283284
0.6772 Remote Similarity NPC474830
0.675 Remote Similarity NPC150895
0.6748 Remote Similarity NPC474817
0.6741 Remote Similarity NPC473983
0.6741 Remote Similarity NPC201370
0.6741 Remote Similarity NPC148374
0.6723 Remote Similarity NPC279916
0.6721 Remote Similarity NPC152159
0.6721 Remote Similarity NPC87466
0.672 Remote Similarity NPC475818
0.672 Remote Similarity NPC476351
0.6696 Remote Similarity NPC13755
0.6693 Remote Similarity NPC473626
0.6692 Remote Similarity NPC303217
0.6691 Remote Similarity NPC478166
0.6667 Remote Similarity NPC265181
0.6667 Remote Similarity NPC208389
0.6642 Remote Similarity NPC473268
0.6642 Remote Similarity NPC170604
0.6642 Remote Similarity NPC307401
0.6642 Remote Similarity NPC215109
0.6641 Remote Similarity NPC246392
0.664 Remote Similarity NPC314329
0.664 Remote Similarity NPC471549
0.664 Remote Similarity NPC473379
0.6637 Remote Similarity NPC84325
0.6619 Remote Similarity NPC245522
0.6619 Remote Similarity NPC114513
0.6619 Remote Similarity NPC195920
0.6618 Remote Similarity NPC282973
0.6617 Remote Similarity NPC209858
0.6617 Remote Similarity NPC265793
0.6615 Remote Similarity NPC170546
0.6615 Remote Similarity NPC939
0.6615 Remote Similarity NPC66246
0.6614 Remote Similarity NPC71274
0.6614 Remote Similarity NPC75557
0.6614 Remote Similarity NPC471559
0.6609 Remote Similarity NPC128730
0.6609 Remote Similarity NPC17537
0.6606 Remote Similarity NPC265461
0.6594 Remote Similarity NPC110305
0.6593 Remote Similarity NPC471653
0.6593 Remote Similarity NPC130976
0.6593 Remote Similarity NPC472376
0.6591 Remote Similarity NPC293253
0.6589 Remote Similarity NPC26532
0.6589 Remote Similarity NPC329707
0.6587 Remote Similarity NPC69403
0.6587 Remote Similarity NPC291189
0.6585 Remote Similarity NPC32298
0.6574 Remote Similarity NPC318429
0.6571 Remote Similarity NPC475864
0.6567 Remote Similarity NPC217914
0.6565 Remote Similarity NPC282230
0.6565 Remote Similarity NPC136340
0.6565 Remote Similarity NPC183348
0.6562 Remote Similarity NPC329922
0.6562 Remote Similarity NPC329694
0.6562 Remote Similarity NPC120066
0.6562 Remote Similarity NPC474260
0.6562 Remote Similarity NPC81912
0.656 Remote Similarity NPC295317
0.6555 Remote Similarity NPC277525
0.6552 Remote Similarity NPC176971
0.6549 Remote Similarity NPC2063
0.6547 Remote Similarity NPC261733
0.6547 Remote Similarity NPC267004
0.6547 Remote Similarity NPC218712
0.6547 Remote Similarity NPC307346
0.6544 Remote Similarity NPC202260
0.6544 Remote Similarity NPC107571
0.6535 Remote Similarity NPC243269
0.6535 Remote Similarity NPC178382
0.6535 Remote Similarity NPC93730
0.6532 Remote Similarity NPC35744
0.6532 Remote Similarity NPC54243
0.6522 Remote Similarity NPC263337
0.6519 Remote Similarity NPC278832
0.6519 Remote Similarity NPC64157
0.6518 Remote Similarity NPC175298
0.6515 Remote Similarity NPC11173
0.6515 Remote Similarity NPC324488
0.6515 Remote Similarity NPC196979
0.6515 Remote Similarity NPC15083
0.6515 Remote Similarity NPC470976
0.6515 Remote Similarity NPC470977
0.6512 Remote Similarity NPC471501
0.6512 Remote Similarity NPC471573
0.6512 Remote Similarity NPC137570
0.6512 Remote Similarity NPC471554
0.6512 Remote Similarity NPC473355
0.6508 Remote Similarity NPC317217
0.6508 Remote Similarity NPC477967
0.6504 Remote Similarity NPC45104
0.6504 Remote Similarity NPC217423
0.6504 Remote Similarity NPC469954
0.6496 Remote Similarity NPC218204
0.6496 Remote Similarity NPC157473
0.6496 Remote Similarity NPC61157
0.6496 Remote Similarity NPC151530
0.6496 Remote Similarity NPC473681
0.6489 Remote Similarity NPC21460
0.6489 Remote Similarity NPC45947

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC217226 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
0.8624 High Similarity NPD9092 Discovery
0.7815 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD9069 Phase 1
0.6864 Remote Similarity NPD1241 Discontinued
0.6667 Remote Similarity NPD1471 Phase 3
0.664 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6574 Remote Similarity NPD9365 Approved
0.6429 Remote Similarity NPD643 Clinical (unspecified phase)
0.6423 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6364 Remote Similarity NPD769 Approved
0.6338 Remote Similarity NPD642 Clinical (unspecified phase)
0.6325 Remote Similarity NPD9697 Approved
0.6271 Remote Similarity NPD3134 Approved
0.626 Remote Similarity NPD1019 Discontinued
0.6222 Remote Similarity NPD3140 Approved
0.6222 Remote Similarity NPD3142 Approved
0.6218 Remote Similarity NPD1358 Approved
0.6212 Remote Similarity NPD9494 Approved
0.6202 Remote Similarity NPD3972 Approved
0.6202 Remote Similarity NPD9717 Approved
0.6187 Remote Similarity NPD2344 Approved
0.6184 Remote Similarity NPD1247 Approved
0.6165 Remote Similarity NPD6832 Phase 2
0.6159 Remote Similarity NPD919 Approved
0.6138 Remote Similarity NPD920 Approved
0.6127 Remote Similarity NPD3887 Approved
0.6107 Remote Similarity NPD1876 Approved
0.6091 Remote Similarity NPD9295 Approved
0.6071 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6071 Remote Similarity NPD2353 Approved
0.6068 Remote Similarity NPD291 Approved
0.6063 Remote Similarity NPD9545 Approved
0.6061 Remote Similarity NPD1203 Approved
0.6042 Remote Similarity NPD6799 Approved
0.6014 Remote Similarity NPD2309 Approved
0.6 Remote Similarity NPD1551 Phase 2
0.6 Remote Similarity NPD2796 Approved
0.5986 Remote Similarity NPD1243 Approved
0.5986 Remote Similarity NPD7421 Clinical (unspecified phase)
0.5969 Remote Similarity NPD1778 Approved
0.5966 Remote Similarity NPD9501 Approved
0.5949 Remote Similarity NPD1212 Approved
0.5944 Remote Similarity NPD1562 Clinical (unspecified phase)
0.5942 Remote Similarity NPD1899 Clinical (unspecified phase)
0.594 Remote Similarity NPD3266 Approved
0.594 Remote Similarity NPD3267 Approved
0.5915 Remote Similarity NPD1549 Phase 2
0.5903 Remote Similarity NPD2354 Approved
0.5897 Remote Similarity NPD1238 Approved
0.5891 Remote Similarity NPD5585 Approved
0.589 Remote Similarity NPD5401 Approved
0.5878 Remote Similarity NPD957 Approved
0.5868 Remote Similarity NPD968 Approved
0.5865 Remote Similarity NPD3225 Approved
0.5859 Remote Similarity NPD5536 Phase 2
0.5855 Remote Similarity NPD5616 Clinical (unspecified phase)
0.5846 Remote Similarity NPD17 Approved
0.5845 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5845 Remote Similarity NPD1550 Clinical (unspecified phase)
0.5839 Remote Similarity NPD6764 Approved
0.5839 Remote Similarity NPD411 Approved
0.5839 Remote Similarity NPD6765 Approved
0.5839 Remote Similarity NPD2313 Discontinued
0.5828 Remote Similarity NPD6279 Approved
0.5828 Remote Similarity NPD6280 Approved
0.5827 Remote Similarity NPD1933 Approved
0.5826 Remote Similarity NPD9296 Approved
0.582 Remote Similarity NPD9552 Approved
0.582 Remote Similarity NPD290 Approved
0.5817 Remote Similarity NPD3882 Suspended
0.5817 Remote Similarity NPD504 Phase 2
0.5814 Remote Similarity NPD1894 Discontinued
0.5811 Remote Similarity NPD3873 Phase 3
0.5811 Remote Similarity NPD3869 Phase 3
0.5811 Remote Similarity NPD5403 Approved
0.5806 Remote Similarity NPD2181 Clinical (unspecified phase)
0.58 Remote Similarity NPD6599 Discontinued
0.5786 Remote Similarity NPD2163 Approved
0.5781 Remote Similarity NPD9493 Approved
0.5778 Remote Similarity NPD5647 Approved
0.5778 Remote Similarity NPD2798 Approved
0.5772 Remote Similarity NPD2684 Approved
0.5766 Remote Similarity NPD2598 Clinical (unspecified phase)
0.5762 Remote Similarity NPD958 Approved
0.576 Remote Similarity NPD1609 Clinical (unspecified phase)
0.5755 Remote Similarity NPD1240 Approved
0.5755 Remote Similarity NPD4307 Phase 2
0.575 Remote Similarity NPD9261 Approved
0.5748 Remote Similarity NPD690 Clinical (unspecified phase)
0.5745 Remote Similarity NPD743 Approved
0.5742 Remote Similarity NPD5537 Clinical (unspecified phase)
0.5726 Remote Similarity NPD556 Approved
0.5725 Remote Similarity NPD6798 Discontinued
0.5725 Remote Similarity NPD3268 Approved
0.5724 Remote Similarity NPD4628 Phase 3
0.5714 Remote Similarity NPD6355 Discontinued
0.5714 Remote Similarity NPD447 Suspended
0.5714 Remote Similarity NPD1608 Approved
0.5704 Remote Similarity NPD6362 Approved
0.5704 Remote Similarity NPD1510 Phase 2
0.5704 Remote Similarity NPD3748 Approved
0.5704 Remote Similarity NPD2799 Discontinued
0.5697 Remote Similarity NPD6785 Approved
0.5697 Remote Similarity NPD6784 Approved
0.5691 Remote Similarity NPD5373 Approved
0.5691 Remote Similarity NPD5374 Approved
0.5691 Remote Similarity NPD9265 Clinical (unspecified phase)
0.5691 Remote Similarity NPD9624 Approved
0.5686 Remote Similarity NPD7096 Clinical (unspecified phase)
0.5683 Remote Similarity NPD6233 Phase 2
0.5683 Remote Similarity NPD4062 Phase 3
0.5682 Remote Similarity NPD3496 Discontinued
0.568 Remote Similarity NPD2671 Approved
0.568 Remote Similarity NPD2673 Approved
0.5676 Remote Similarity NPD4378 Clinical (unspecified phase)
0.5674 Remote Similarity NPD1607 Approved
0.5672 Remote Similarity NPD4359 Approved
0.5669 Remote Similarity NPD5262 Discontinued
0.5667 Remote Similarity NPD9085 Approved
0.566 Remote Similarity NPD4575 Clinical (unspecified phase)
0.5649 Remote Similarity NPD9479 Approved
0.5649 Remote Similarity NPD9478 Approved
0.5633 Remote Similarity NPD6808 Phase 2
0.5621 Remote Similarity NPD6801 Discontinued
0.562 Remote Similarity NPD454 Approved
0.56 Remote Similarity NPD3613 Discontinued
0.56 Remote Similarity NPD5586 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7362
ChEMBL   CHEMBL189362
ZINC  

Physicochemical Properties

Molecular Weight:  96.02
ALogP:  -0.3465
MLogP:  1.79
XLogP:  1.057
# Rotatable Bonds:  1
Polar Surface Area:  30.21
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  7

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Biological Activities  
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