Natural Product: NPC19256

Natural Product ID:  NPC19256
Common Name:   Anthraquinone
IUPAC Name:   anthracene-9,10-dione
Synonyms:   9,10-Anthraquinone; Anthracene-9,10-Dione; Anthraquinone
Molecular Formula:   C14H8O2
Standard InCHIKey:  RZVHIXYEVGDQDX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
Canonical SMILES:  O=C1c2ccccc2C(=O)c2c1cccc2
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
NPO13523 Neobalanocarpus heimii Species Dipterocarpaceae Eukaryota UNPD*
NPO25238 Rheum coreanum Species Polygonaceae Eukaryota TM-MC*
NPO14412 Aphyllocladus denticulatus Species Asteraceae Eukaryota UNPD*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TM-MC*
NPO624 Isaria fumosorosea Species Cordycipitaceae Eukaryota UNPD*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TM-MC*
NPO7819.1 Epichloe festucae var. lolii Varieties Clavicipitaceae Eukaryota UNPD*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TM-MC*
NPO9448 Dictyopteris australis Species Dictyotaceae Eukaryota UNPD*
NPO4345 Caulocystis cephalornithos Species Sargassaceae Eukaryota UNPD*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota TM-MC*
NPO10688 Flacourtia jangomas Species Salicaceae Eukaryota UNPD*
NPO12477 Dodonaea viscosa Species Sapindaceae Eukaryota UNPD*
NPO28159 Rubia akane Species Rubiaceae Eukaryota TM-MC*
NPO16590 Cytophaga hutchinsoni Species Cytophagaceae Bacteria UNPD*
NPO13403 Gadus morhua callarias Species Gadidae Eukaryota UNPD*
NPO3102 Arachniodes exilis Species Dryopteridaceae Eukaryota TCMID*
NPO11580 Onobrychis arenaria Species Fabaceae Eukaryota UNPD*
NPO14014 Eriocheir sinensis Species Varunidae Eukaryota UNPD*
NPO24498 Casearia membranacea Species Salicaceae Eukaryota TCMID*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota Roots PMID[11459643]
NPO12079 Dysoxylum cumingianum Species Meliaceae Eukaryota UNPD*
NPO16145 Apocynum venetum Species Apocynaceae Eukaryota TCMID*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO15297 Aconitum seravschanicum Species Ranunculaceae Eukaryota UNPD*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota TCMID*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota HerDing*
NPO12092 Hemerocallis radix Species Asphodelaceae Eukaryota TCMSP*
NPO1501 Senecio subdentatus Species Asteraceae Eukaryota UNPD*
NPO16145 Apocynum venetum Species Apocynaceae Eukaryota TCM_Taiwan*
NPO12446 Folium ilicis cornutae NA NA NA TCMSP*
NPO16145 Apocynum venetum Species Apocynaceae Eukaryota HerDing*
NPO29609 Polygoni cuspidati rhizoma et radix NA NA NA TCMSP*
NPO24498 Casearia membranacea Species Salicaceae Eukaryota HerDing*
NPO28423 Apocyniveneti folium NA NA NA TCMSP*
NPO29836 Cassia obtusifolia Species Fabaceae Eukaryota TCM_Taiwan*
NPO29648 Cassiae semen NA NA NA TCMSP*
NPO13237 Teucrium yemense Species Lamiaceae Eukaryota UNPD*
NPO31781 Streptomyces anu 6277 Species Streptomycetaceae Bacteria StreptomeDB*
NPO2198 Rivularia firma Species Rivulariaceae Bacteria UNPD*
NPO31934 Streptomyces mst77755 Species Streptomycetaceae Bacteria StreptomeDB*
NPO986 Rattus rattus Species Muridae Eukaryota UNPD*
NPO2997 Aloe africana Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO13421 Sphaerella laricina NA NA NA UNPD*
NPO11578 Aloe vera Species Xanthorrhoeaceae Eukaryota TM-MC*
NPO14217 Adansonia grandidieri Species Malvaceae Eukaryota UNPD*
NPO14763 Aloe ferox Species Asphodelaceae Eukaryota TM-MC*
NPO14520 Bassia muricata Species Chenopodiaceae Eukaryota UNPD*
NPO2837 Aloe spicata Species Asphodelaceae Eukaryota TM-MC*
NPO11749 Eria mollis Species Orchidaceae Eukaryota UNPD*
NPO8921 Senna obtusifolia Species Fabaceae Eukaryota TM-MC*
NPO14104 Dendriopoterium menendezii Species Rosaceae Eukaryota UNPD*
NPO9752 Miliusa velutina Species Annonaceae Eukaryota UNPD*
NPO8386 Enceliopsis argophylla Species Asteraceae Eukaryota UNPD*
NPO14304 Physalis alkekengi Species Solanaceae Eukaryota UNPD*
NPO13716 Aconitum tasiromontanum Species Ranunculaceae Eukaryota UNPD*
NPO22526 Justicia secunda Species Acanthaceae Eukaryota UNPD*
NPO7672 Senna tora Species Fabaceae Eukaryota TM-MC*
NPO12252 Psychotria stachyoides Species Rubiaceae Eukaryota UNPD*
NPO3214 Lavandula vera Species Lamiaceae Eukaryota UNPD*
NPO11614 Dianthus chinensis Species Caryophyllaceae Eukaryota TM-MC*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota UNPD*
NPO23323 Dianthus superbus Species Caryophyllaceae Eukaryota TM-MC*
NPO2631 Aster sedifolius Species Asteraceae Eukaryota UNPD*
NPO29417 Fallopia multiflora Species Polygonaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 5000 nM 10.1016/0960-894X(95)00326-O
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 > 1000000 nM 11128637
NPT179 Cell Line A2780 Homo sapiens IC50 = 580 nM 19028102
NPT911 Individual Protein Dual specificity phosphatase Cdc25B Homo sapiens IC50 = 9510 nM 19028102
NPT1497 Individual Protein Dual specificity protein phosphatase 1 Mus musculus IC50 > 50000 nM 19028102
NPT1498 Individual Protein Dual specificity protein phosphatase 6 Rattus norvegicus IC50 > 50000 nM 19028102
NPT2 Others Unspecified Activity < 50 % 7494143
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 35481.3 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 15101.4 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 3219.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 27306 nM PubChem BioAssay data set
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 88 % 12903946
NPT363 Organism Brassica oleracea var. italica Brassica oleracea var. italica Activity = 96.7 % 12903946
NPT1164 Organism Brassica oleracea Brassica oleracea Activity = 87.3 % 12903946
NPT1164 Organism Brassica oleracea Brassica oleracea Activity = 88 % 12903946
NPT1500 Organism Solanum melongena Solanum melongena Activity = 82.7 % 12903946
NPT1501 Organism Cucumis melo Cucumis melo Activity = 90.7 % 12903946
NPT1102 Organism Cucumis sativus Cucumis sativus Activity = 93.3 % 12903946
NPT1502 Organism Capsicum annuum Capsicum annuum Activity = 85.3 % 12903946
NPT959 Organism Solanum lycopersicum Solanum lycopersicum Activity = 94.7 % 12903946
NPT1503 Organism Verticillium dahliae Verticillium dahliae ED50 > 100 ug/ml 12903946
NPT638 Organism Sclerotinia sclerotiorum Sclerotinia sclerotiorum ED50 > 100 ug/ml 12903946
NPT1504 Organism Sclerotinia minor Sclerotinia minor ED50 > 100 ug/ml 12903946
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana ED50 > 100 ug/ml 12903946
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 23454511
NPT1505 Cell Line J82 Homo sapiens IC50 > 100000 nM 23454511
NPT1506 Cell Line SK-MES-1 Homo sapiens IC50 > 100000 nM 23454511
NPT196 Cell Line AGS Homo sapiens IC50 > 100000 nM 23454511
NPT171 Cell Line MRC5 Homo sapiens IC50 > 100000 nM 23454511
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 96.98 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 78.8 % 23571415
NPT2 Others Unspecified Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4216.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 4327.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5353.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5955.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 281.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 116.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5171.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2908.1 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 NPC19256 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
0.9762 High Similarity NPC267262
0.9655 High Similarity NPC289883
0.9302 High Similarity NPC157778
0.9195 High Similarity NPC418308
0.9186 High Similarity NPC43945
0.9111 High Similarity NPC472880
0.9101 High Similarity NPC59677
0.9091 High Similarity NPC173413
0.9091 High Similarity NPC277277
0.9022 High Similarity NPC49994
0.8989 High Similarity NPC284475
0.8941 High Similarity NPC215008
0.8941 High Similarity NPC273758
0.8929 High Similarity NPC12936
0.8929 High Similarity NPC273033
0.8889 High Similarity NPC188844
0.8889 High Similarity NPC155232
0.8889 High Similarity NPC1682
0.8851 High Similarity NPC160339
0.8851 High Similarity NPC307
0.883 High Similarity NPC472879
0.883 High Similarity NPC476993
0.8817 High Similarity NPC134882
0.881 High Similarity NPC71664
0.8804 High Similarity NPC185208
0.8804 High Similarity NPC219573
0.8791 High Similarity NPC238219
0.8778 High Similarity NPC133461
0.8764 High Similarity NPC113307
0.875 High Similarity NPC69057
0.871 High Similarity NPC239185
0.871 High Similarity NPC265220
0.8696 High Similarity NPC260233
0.8681 High Similarity NPC153885
0.8632 High Similarity NPC109514
0.8617 High Similarity NPC75724
0.8571 High Similarity NPC103346
0.8556 High Similarity NPC325709
0.8488 Intermediate Similarity NPC145053
0.8478 Intermediate Similarity NPC323420
0.8471 Intermediate Similarity NPC300205
0.8452 Intermediate Similarity NPC245966
0.8372 Intermediate Similarity NPC164086
0.8372 Intermediate Similarity NPC190567
0.8372 Intermediate Similarity NPC95868
0.8353 Intermediate Similarity NPC285470
0.8353 Intermediate Similarity NPC2785
0.8353 Intermediate Similarity NPC36342
0.8265 Intermediate Similarity NPC475939
0.8265 Intermediate Similarity NPC474866
0.8265 Intermediate Similarity NPC472691
0.8265 Intermediate Similarity NPC471829
0.8256 Intermediate Similarity NPC151405
0.8256 Intermediate Similarity NPC139901
0.8242 Intermediate Similarity NPC153308
0.8218 Intermediate Similarity NPC470252
0.8152 Intermediate Similarity NPC298115
0.81 Intermediate Similarity NPC134120
0.809 Intermediate Similarity NPC39600
0.8081 Intermediate Similarity NPC274443
0.8068 Intermediate Similarity NPC73978
0.8046 Intermediate Similarity NPC272260
0.8023 Intermediate Similarity NPC9796
0.8022 Intermediate Similarity NPC164526
0.802 Intermediate Similarity NPC472699
0.802 Intermediate Similarity NPC472700
0.8 Intermediate Similarity NPC196673
0.8 Intermediate Similarity NPC329282
0.7981 Intermediate Similarity NPC186128
0.798 Intermediate Similarity NPC222390
0.798 Intermediate Similarity NPC244427
0.7955 Intermediate Similarity NPC285716
0.7955 Intermediate Similarity NPC17408
0.7941 Intermediate Similarity NPC472696
0.7941 Intermediate Similarity NPC203732
0.7941 Intermediate Similarity NPC472683
0.7941 Intermediate Similarity NPC472695
0.7941 Intermediate Similarity NPC472701
0.7921 Intermediate Similarity NPC172483
0.7921 Intermediate Similarity NPC474910
0.7912 Intermediate Similarity NPC252067
0.79 Intermediate Similarity NPC247976
0.7889 Intermediate Similarity NPC197581
0.7885 Intermediate Similarity NPC265513
0.7864 Intermediate Similarity NPC192577
0.783 Intermediate Similarity NPC67377
0.7816 Intermediate Similarity NPC179726
0.781 Intermediate Similarity NPC280789
0.7778 Intermediate Similarity NPC158157
0.7765 Intermediate Similarity NPC285679
0.7755 Intermediate Similarity NPC156021
0.7753 Intermediate Similarity NPC477703
0.7736 Intermediate Similarity NPC470253
0.7736 Intermediate Similarity NPC93287
0.7727 Intermediate Similarity NPC103488
0.7723 Intermediate Similarity NPC329556
0.7717 Intermediate Similarity NPC123476
0.7714 Intermediate Similarity NPC137315
0.77 Intermediate Similarity NPC112552
0.7692 Intermediate Similarity NPC324624
0.767 Intermediate Similarity NPC100767
0.7667 Intermediate Similarity NPC100039
0.7664 Intermediate Similarity NPC326664
0.7664 Intermediate Similarity NPC471721
0.7647 Intermediate Similarity NPC74458
0.7604 Intermediate Similarity NPC125226
0.7593 Intermediate Similarity NPC215419
0.757 Intermediate Similarity NPC143768
0.7549 Intermediate Similarity NPC255676
0.7547 Intermediate Similarity NPC291799
0.7529 Intermediate Similarity NPC72670
0.7524 Intermediate Similarity NPC318327
0.75 Intermediate Similarity NPC303967
0.75 Intermediate Similarity NPC58872
0.75 Intermediate Similarity NPC110420
0.75 Intermediate Similarity NPC67585
0.75 Intermediate Similarity NPC78500
0.7477 Intermediate Similarity NPC292834
0.7477 Intermediate Similarity NPC318173
0.7477 Intermediate Similarity NPC218855
0.7475 Intermediate Similarity NPC12695
0.7449 Intermediate Similarity NPC34243
0.7412 Intermediate Similarity NPC98880
0.7411 Intermediate Similarity NPC202015
0.7407 Intermediate Similarity NPC471481
0.7404 Intermediate Similarity NPC167336
0.7383 Intermediate Similarity NPC474057
0.7374 Intermediate Similarity NPC172925
0.7368 Intermediate Similarity NPC120545
0.7364 Intermediate Similarity NPC62138
0.7339 Intermediate Similarity NPC241851
0.7339 Intermediate Similarity NPC234637
0.7339 Intermediate Similarity NPC130591
0.7333 Intermediate Similarity NPC76455
0.7333 Intermediate Similarity NPC137847
0.7326 Intermediate Similarity NPC95289
0.7315 Intermediate Similarity NPC212415
0.7315 Intermediate Similarity NPC66208
0.7315 Intermediate Similarity NPC79496
0.7312 Intermediate Similarity NPC149263
0.7308 Intermediate Similarity NPC249067
0.7304 Intermediate Similarity NPC300274
0.7304 Intermediate Similarity NPC91478
0.7297 Intermediate Similarity NPC469843
0.7294 Intermediate Similarity NPC311343
0.7292 Intermediate Similarity NPC473345
0.7282 Intermediate Similarity NPC320891
0.7273 Intermediate Similarity NPC470764
0.7273 Intermediate Similarity NPC261181
0.7273 Intermediate Similarity NPC258492
0.7273 Intermediate Similarity NPC96835
0.7273 Intermediate Similarity NPC217111
0.7273 Intermediate Similarity NPC208075
0.7264 Intermediate Similarity NPC470391
0.7264 Intermediate Similarity NPC211439
0.7255 Intermediate Similarity NPC221825
0.7248 Intermediate Similarity NPC13784
0.7245 Intermediate Similarity NPC110704
0.7241 Intermediate Similarity NPC375356
0.7238 Intermediate Similarity NPC471186
0.7238 Intermediate Similarity NPC105899
0.7232 Intermediate Similarity NPC228318
0.7232 Intermediate Similarity NPC323440
0.7232 Intermediate Similarity NPC222968
0.7232 Intermediate Similarity NPC80605
0.7228 Intermediate Similarity NPC103048
0.7228 Intermediate Similarity NPC240042
0.7222 Intermediate Similarity NPC210089
0.7222 Intermediate Similarity NPC298023
0.7222 Intermediate Similarity NPC329318
0.7216 Intermediate Similarity NPC231591
0.7207 Intermediate Similarity NPC260886
0.7193 Intermediate Similarity NPC232958
0.7191 Intermediate Similarity NPC307195
0.7184 Intermediate Similarity NPC128248
0.7184 Intermediate Similarity NPC136810
0.7184 Intermediate Similarity NPC133809
0.7182 Intermediate Similarity NPC196075
0.7179 Intermediate Similarity NPC142956
0.7174 Intermediate Similarity NPC157055
0.717 Intermediate Similarity NPC83409
0.717 Intermediate Similarity NPC185763
0.717 Intermediate Similarity NPC37914
0.7168 Intermediate Similarity NPC472698
0.7168 Intermediate Similarity NPC472697
0.7159 Intermediate Similarity NPC271437
0.7157 Intermediate Similarity NPC229242
0.7143 Intermediate Similarity NPC26224
0.7143 Intermediate Similarity NPC114594
0.713 Intermediate Similarity NPC144547
0.7119 Intermediate Similarity NPC103540
0.7117 Intermediate Similarity NPC474095
0.7117 Intermediate Similarity NPC228936
0.7117 Intermediate Similarity NPC186933
0.7115 Intermediate Similarity NPC25458
0.7113 Intermediate Similarity NPC477693
0.7113 Intermediate Similarity NPC477704
0.7105 Intermediate Similarity NPC476645
0.7103 Intermediate Similarity NPC112903
0.7103 Intermediate Similarity NPC470007

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC19256 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
0.9186 High Similarity NPD650 Approved
0.8989 High Similarity NPD7609 Phase 3
0.8929 High Similarity NPD942 Approved
0.8889 High Similarity NPD7631 Approved
0.8889 High Similarity NPD1508 Approved
0.871 High Similarity NPD3495 Discontinued
0.8602 High Similarity NPD1843 Approved
0.8372 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.798 Intermediate Similarity NPD1932 Approved
0.7723 Intermediate Similarity NPD1929 Approved
0.7723 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7723 Intermediate Similarity NPD1930 Approved
0.7553 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD2329 Discontinued
0.7434 Intermediate Similarity NPD4879 Approved
0.7431 Intermediate Similarity NPD5951 Approved
0.7426 Intermediate Similarity NPD2066 Phase 3
0.7383 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD5836 Discontinued
0.7315 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD1237 Approved
0.7273 Intermediate Similarity NPD1202 Approved
0.7245 Intermediate Similarity NPD1239 Approved
0.7232 Intermediate Similarity NPD7610 Discontinued
0.7119 Intermediate Similarity NPD1470 Approved
0.7115 Intermediate Similarity NPD2648 Phase 3
0.7115 Intermediate Similarity NPD2193 Phase 2
0.71 Intermediate Similarity NPD1563 Approved
0.71 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD1201 Approved
0.7043 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD4094 Approved
0.7018 Intermediate Similarity NPD7009 Phase 2
0.701 Intermediate Similarity NPD1087 Approved
0.7009 Intermediate Similarity NPD4878 Approved
0.6981 Remote Similarity NPD164 Approved
0.6972 Remote Similarity NPD664 Approved
0.6961 Remote Similarity NPD1989 Approved
0.6957 Remote Similarity NPD227 Approved
0.6957 Remote Similarity NPD225 Approved
0.6952 Remote Similarity NPD2196 Discontinued
0.6947 Remote Similarity NPD3971 Phase 1
0.6937 Remote Similarity NPD6858 Approved
0.6937 Remote Similarity NPD7094 Approved
0.6923 Remote Similarity NPD1238 Approved
0.6907 Remote Similarity NPD9259 Approved
0.6907 Remote Similarity NPD9257 Approved
0.6893 Remote Similarity NPD1100 Approved
0.6893 Remote Similarity NPD1564 Approved
0.6893 Remote Similarity NPD4657 Approved
0.6893 Remote Similarity NPD4655 Approved
0.6893 Remote Similarity NPD1566 Phase 3
0.6893 Remote Similarity NPD1565 Approved
0.6893 Remote Similarity NPD1099 Approved
0.6882 Remote Similarity NPD9490 Approved
0.6863 Remote Similarity NPD1693 Approved
0.6838 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6824 Remote Similarity NPD675 Discontinued
0.6822 Remote Similarity NPD5909 Discontinued
0.6822 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1317 Discontinued
0.68 Remote Similarity NPD1086 Approved
0.68 Remote Similarity NPD1090 Approved
0.68 Remote Similarity NPD1089 Approved
0.6792 Remote Similarity NPD6024 Approved
0.6792 Remote Similarity NPD2171 Approved
0.6792 Remote Similarity NPD6027 Approved
0.6774 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6771 Remote Similarity NPD9491 Approved
0.6759 Remote Similarity NPD2197 Approved
0.6759 Remote Similarity NPD2192 Approved
0.6759 Remote Similarity NPD1677 Discontinued
0.6757 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6752 Remote Similarity NPD3412 Clinical (unspecified phase)
0.675 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6737 Remote Similarity NPD226 Approved
0.6729 Remote Similarity NPD3357 Discontinued
0.6727 Remote Similarity NPD2182 Approved
0.6727 Remote Similarity NPD6831 Clinical (unspecified phase)
0.67 Remote Similarity NPD800 Approved
0.6699 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6049 Phase 2
0.6667 Remote Similarity NPD1088 Approved
0.6634 Remote Similarity NPD9256 Approved
0.6634 Remote Similarity NPD9258 Approved
0.663 Remote Similarity NPD9716 Approved
0.6613 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6613 Remote Similarity NPD7008 Discontinued
0.6612 Remote Similarity NPD1876 Approved
0.661 Remote Similarity NPD2345 Approved
0.6604 Remote Similarity NPD7798 Approved
0.6552 Remote Similarity NPD405 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4544 Approved
0.6508 Remote Similarity NPD7961 Discontinued
0.65 Remote Similarity NPD4793 Discontinued
0.6481 Remote Similarity NPD813 Approved
0.6475 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6471 Remote Similarity NPD3672 Approved
0.6471 Remote Similarity NPD3673 Approved
0.6466 Remote Similarity NPD3317 Approved
0.6465 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6446 Remote Similarity NPD3972 Approved
0.6444 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6417 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6387 Remote Similarity NPD3024 Approved
0.6387 Remote Similarity NPD3025 Approved
0.6387 Remote Similarity NPD1245 Approved
0.6385 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6381 Remote Similarity NPD9260 Approved
0.6379 Remote Similarity NPD1246 Approved
0.6379 Remote Similarity NPD2508 Discontinued
0.6373 Remote Similarity NPD5346 Phase 2
0.6373 Remote Similarity NPD5347 Phase 2
0.6371 Remote Similarity NPD4980 Approved
0.6364 Remote Similarity NPD6287 Discontinued
0.6364 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6356 Remote Similarity NPD997 Clinical (unspecified phase)
0.6355 Remote Similarity NPD466 Approved
0.6349 Remote Similarity NPD2754 Discontinued
0.6333 Remote Similarity NPD3019 Approved
0.6321 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6299 Remote Similarity NPD3764 Approved
0.6296 Remote Similarity NPD742 Approved
0.629 Remote Similarity NPD3245 Phase 3
0.629 Remote Similarity NPD3244 Pre-registration
0.6281 Remote Similarity NPD3023 Approved
0.6281 Remote Similarity NPD3026 Approved
0.626 Remote Similarity NPD5157 Phase 1
0.626 Remote Similarity NPD3547 Approved
0.626 Remote Similarity NPD3549 Approved
0.626 Remote Similarity NPD5159 Phase 2
0.626 Remote Similarity NPD5158 Clinical (unspecified phase)
0.626 Remote Similarity NPD3550 Clinical (unspecified phase)
0.625 Remote Similarity NPD1651 Approved
0.625 Remote Similarity NPD7713 Phase 3
0.625 Remote Similarity NPD1007 Discontinued
0.624 Remote Similarity NPD2798 Approved
0.6239 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6222 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5408 Approved
0.6212 Remote Similarity NPD5405 Approved
0.6212 Remote Similarity NPD5406 Approved
0.6212 Remote Similarity NPD5404 Approved
0.621 Remote Similarity NPD1574 Approved
0.6198 Remote Similarity NPD2932 Approved
0.6179 Remote Similarity NPD3355 Approved
0.6179 Remote Similarity NPD3356 Approved
0.6172 Remote Similarity NPD2846 Clinical (unspecified phase)
0.617 Remote Similarity NPD4058 Approved
0.6168 Remote Similarity NPD2895 Discontinued
0.6165 Remote Similarity NPD1471 Phase 3
0.6165 Remote Similarity NPD2346 Discontinued
0.616 Remote Similarity NPD1593 Approved
0.616 Remote Similarity NPD5653 Discontinued
0.616 Remote Similarity NPD1164 Approved
0.6154 Remote Similarity NPD7076 Approved
0.6154 Remote Similarity NPD7077 Approved
0.6129 Remote Similarity NPD182 Clinical (unspecified phase)
0.6126 Remote Similarity NPD9261 Approved
0.6126 Remote Similarity NPD6647 Phase 2
0.6122 Remote Similarity NPD3979 Approved
0.6122 Remote Similarity NPD3904 Approved
0.6122 Remote Similarity NPD3903 Approved
0.6122 Remote Similarity NPD3981 Approved
0.6116 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6116 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6102 Remote Similarity NPD690 Clinical (unspecified phase)
0.6102 Remote Similarity NPD2319 Discontinued
0.6098 Remote Similarity NPD1281 Approved
0.6094 Remote Similarity NPD6966 Discovery
0.6091 Remote Similarity NPD5630 Phase 1
0.6087 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6065 Approved
0.6066 Remote Similarity NPD4733 Approved
0.6066 Remote Similarity NPD1727 Approved
0.6061 Remote Similarity NPD7541 Clinical (unspecified phase)
0.6055 Remote Similarity NPD253 Approved
0.6055 Remote Similarity NPD9495 Approved
0.6055 Remote Similarity NPD5926 Approved
0.6048 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6047 Remote Similarity NPD2313 Discontinued
0.6036 Remote Similarity NPD4803 Discontinued
0.6034 Remote Similarity NPD5927 Discontinued
0.6029 Remote Similarity NPD7003 Approved
0.6019 Remote Similarity NPD1282 Approved
0.6018 Remote Similarity NPD5048 Discontinued
0.6018 Remote Similarity NPD1018 Approved
0.6017 Remote Similarity NPD1175 Approved
0.6017 Remote Similarity NPD1241 Discontinued
0.6016 Remote Similarity NPD3881 Discontinued
0.6015 Remote Similarity NPD3748 Approved
0.6 Remote Similarity NPD4574 Approved
0.6 Remote Similarity NPD4576 Approved
0.5984 Remote Similarity NPD6007 Clinical (unspecified phase)
0.5983 Remote Similarity NPD9508 Approved
0.5981 Remote Similarity NPD2878 Approved
0.5981 Remote Similarity NPD3982 Approved
0.5981 Remote Similarity NPD3980 Approved

Structure

External Identifiers

PubChem CID   6780
ChEMBL   CHEMBL55659
ZINC  

Physicochemical Properties

Molecular Weight:  208.05
ALogP:  -0.5276
MLogP:  2.78
XLogP:  4.074
# Rotatable Bonds:  0
Polar Surface Area:  34.14
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

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Biological Activities  
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