Natural Product: NPC294226

Natural Product ID:  NPC294226
Common Name:   Athraquinones A
IUPAC Name:   1,2-dihydroxyanthracene-9,10-dione
Synonyms:  
Molecular Formula:   C14H8O4
Standard InCHIKey:  RGCKGOZRHPZPFP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
Canonical SMILES:  O=C1c2ccccc2C(=O)c2c1ccc(c2O)O
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
NPO20880 Conocybe siliginea Species Bolbitiaceae Eukaryota UNPD*
NPO10014 Rubia tinctorum Species Rubiaceae Eukaryota TCM_Taiwan*
NPO17395 Asperula odorata Species Rubiaceae Eukaryota TCM_Taiwan*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TCM_Taiwan*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TCM_Taiwan*
NPO30535 Morinda umbellata Species Rubiaceae Eukaryota TCM_Taiwan*
NPO4323 Morinda citrifolia Species Rubiaceae Eukaryota TCM_Taiwan*
NPO20822 Asperula odora Species Rubiaceae Eukaryota UNPD*
NPO19792 Populus tomentosa Species Salicaceae Eukaryota UNPD*
NPO20572 Vepris louisii Species Rutaceae Eukaryota UNPD*
NPO20364 Ophelia bicornis Species Opheliidae Eukaryota UNPD*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TCMSP*
NPO25238 Rheum coreanum Species Polygonaceae Eukaryota TM-MC*
NPO20881 Rheum officinale Species Polygonaceae Eukaryota TM-MC*
NPO28024 Rheum palmatum Species Polygonaceae Eukaryota TM-MC*
NPO7632 Rheum tanguticum Species Polygonaceae Eukaryota TM-MC*
NPO28159 Rubia akane Species Rubiaceae Eukaryota TM-MC*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TM-MC*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota TM-MC*
NPO20064 Litsea konishii Species Lauraceae Eukaryota UNPD*
NPO11391 Polygonum cuspidatum Species Polygonaceae Eukaryota Roots PMID[11459643]
NPO30900 Morinda parvifolia Species Rubiaceae Eukaryota PMID[7097296]
NPO4323 Morinda citrifolia Species Rubiaceae Eukaryota roots PMID[18076142]
NPO8020 Lychnophora columnaris Species Asteraceae Eukaryota UNPD*
NPO19956 Pulveroboletus retipes Species Boletaceae Eukaryota UNPD*
NPO21199 Alangium platanifolium Species Cornaceae Eukaryota UNPD*
NPO15980 Croton penduliflorus Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT138 Organism Brugia malayi Brugia malayi Mortality = 5 % 15828820
NPT2 Others Unspecified Mortality = 3 % 15828820
NPT4244 Individual Protein RmtA Emericella nidulans IC50 = 1220000 nM 17323938
NPT4245 Individual Protein Protein-arginine N-methyltransferase 1 Homo sapiens IC50 = 1160000 nM 17323938
NPT2 Others Unspecified Activity = 0.012 nM 18076142
NPT2 Others Unspecified Ratio = 5.1 18076142
NPT2 Others Unspecified Activity > 0.25 ug/ml 2213033
NPT2 Others Unspecified Activity = 60 % 7097296
NPT2 Others Unspecified IC50 = 63900 nM 7494143
NPT2 Others Unspecified IC50 = 49500 nM 7494143
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 2558164
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 2558164
NPT2 Others Unspecified Inhibition = 100 % 2558164
NPT2 Others Unspecified Inhibition = 92.4 % 2558164
NPT2 Others Unspecified Inhibition = 71.4 % 2558164
NPT2 Others Unspecified Activity = 717 % 20005021
NPT35 Others n.a. Activity = 246 % 20005021
NPT2 Others Unspecified Activity = 40 uL 20005021
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 316227.8 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 19952.6 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 18869.9 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 12589.3 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 125892.5 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT1119 Individual Protein Arachidonate 12-lipoxygenase Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT282 Individual Protein MAP kinase ERK2 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 15848.9 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 177827.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 14125.4 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT1005 Individual Protein Tumor susceptibility gene 101 protein Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 141253.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 > 52000 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT84 Individual Protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus AC50 = 4543 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT199 Individual Protein DNA polymerase kappa Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 63095.7 nM PubChem BioAssay data set
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 120 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 160 pm/min/mg 10836148
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 205 pm/min/mg 10836148
NPT694 Individual Protein UDP-glucuronosyltransferase 1-3 Homo sapiens Activity = 1072 pm/min/mg 10836148
NPT902 Individual Protein UDP-glucuronosyltransferase 1A4 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 843 pm/min/mg 10836148
NPT695 Individual Protein UDP-glucuronosyltransferase 1-8 Homo sapiens Activity = 1500 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 1900 pm/min/mg 10836148
NPT704 Individual Protein UDP-glucuronosyltransferase 2B15 Homo sapiens Activity = 11 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT368 Cell Line SN12C Homo sapiens GI50 42266.86 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 34753.62 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 41591.06 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 38636.7 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 36643.76 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 42559.84 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 36057.86 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 39536.66 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 32885.16 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 32359.37 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 38636.7 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 61235.04 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 35892.19 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 34833.73 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 72443.6 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 37931.5 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 57809.6 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 39445.73 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 39084.09 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 77624.71 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 49888.45 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 36475.39 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 32062.69 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 37844.26 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 42953.64 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 33113.11 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 28183.83 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 32433.96 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 37068.07 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 31988.95 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 43151.91 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 38904.51 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 25409.73 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 39536.66 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16.1 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 35645.11 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 57279.6 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 25574.8 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 62950.62 nM PubChem BioAssay data set
NPT534 Individual Protein Phosphoglycerate kinase, glycosomal Trypanosoma brucei brucei Potency 25118.9 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 76032.63 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 71121.35 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 43351.09 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 35974.93 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 94841.85 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 40831.94 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 34514.37 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 3662.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT821 Individual Protein Werner syndrome ATP-dependent helicase Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT159 Individual Protein Aberrant vpr protein Human immunodeficiency virus 1 Potency 12589.3 nM PubChem BioAssay data set
NPT1005 Individual Protein Tumor susceptibility gene 101 protein Homo sapiens Potency 32609 nM PubChem BioAssay data set
NPT980 Individual Protein Apoptosis regulator Bcl-2 Homo sapiens Ki = 1150 nM 23167494
NPT57 Individual Protein Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens Ki = 1620 nM 23167494
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT1854 Individual Protein Phosphoglycerate kinase Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Potency 20574.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 84.81 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 93.11 % 23571415
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 75686.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9439.2 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 4216 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19692.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.2 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 23778.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 7568.6 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 84367.9 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 50000 nM 24953029
NPT3140 Cell Line MGC-803 Homo sapiens IC50 = 39350 nM 24953029
NPT397 Cell Line NCI-H460 Homo sapiens IC50 > 50000 nM 24953029
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 24953029
NPT91 Cell Line KB Homo sapiens IC50 = 15650 nM 24953029
NPT3887 Cell Line CNE Homo sapiens IC50 > 100000 nM 24953029
NPT165 Cell Line HeLa Homo sapiens IC50 > 100000 nM 24953029
NPT65 Cell Line HepG2 Homo sapiens IC50 > 50000 nM 24953029
NPT737 Cell Line HUVEC Homo sapiens IC50 > 50000 nM 24953029
NPT2 Others Unspecified AC50 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 8912.5 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 NPC294226 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
0.969 High Similarity NPC258502
0.9618 High Similarity NPC61398
0.9618 High Similarity NPC416
0.9603 High Similarity NPC234175
0.9542 High Similarity NPC147418
0.9474 High Similarity NPC203063
0.9453 High Similarity NPC117609
0.9265 High Similarity NPC238629
0.9206 High Similarity NPC375356
0.913 High Similarity NPC160777
0.913 High Similarity NPC73416
0.9127 High Similarity NPC300274
0.9127 High Similarity NPC91478
0.9098 High Similarity NPC72918
0.9091 High Similarity NPC52407
0.9077 High Similarity NPC99731
0.9062 High Similarity NPC103540
0.9048 High Similarity NPC120545
0.9023 High Similarity NPC44437
0.8992 High Similarity NPC96915
0.8923 High Similarity NPC473787
0.8881 High Similarity NPC50924
0.8872 High Similarity NPC135801
0.8864 High Similarity NPC136588
0.8864 High Similarity NPC199253
0.8855 High Similarity NPC282923
0.8837 High Similarity NPC142956
0.8824 High Similarity NPC53414
0.8824 High Similarity NPC290030
0.8824 High Similarity NPC53206
0.8815 High Similarity NPC153088
0.8815 High Similarity NPC80035
0.8806 High Similarity NPC225051
0.8806 High Similarity NPC111845
0.8803 High Similarity NPC471907
0.8797 High Similarity NPC93015
0.8797 High Similarity NPC469526
0.8797 High Similarity NPC244699
0.8797 High Similarity NPC34070
0.8759 High Similarity NPC4214
0.8759 High Similarity NPC13715
0.875 High Similarity NPC118427
0.875 High Similarity NPC7464
0.875 High Similarity NPC302783
0.875 High Similarity NPC473201
0.875 High Similarity NPC254847
0.8731 High Similarity NPC70622
0.8722 High Similarity NPC233056
0.8722 High Similarity NPC31799
0.8722 High Similarity NPC26697
0.8712 High Similarity NPC48248
0.8705 High Similarity NPC84273
0.8702 High Similarity NPC3224
0.8696 High Similarity NPC242994
0.8696 High Similarity NPC138099
0.8696 High Similarity NPC472903
0.869 High Similarity NPC312338
0.869 High Similarity NPC164912
0.869 High Similarity NPC149889
0.8686 High Similarity NPC471905
0.8686 High Similarity NPC264022
0.8676 High Similarity NPC283088
0.8667 High Similarity NPC138472
0.8667 High Similarity NPC53896
0.8657 High Similarity NPC205992
0.8652 High Similarity NPC79627
0.8647 High Similarity NPC34414
0.8647 High Similarity NPC146647
0.8636 High Similarity NPC324209
0.8633 High Similarity NPC181560
0.8633 High Similarity NPC169452
0.8623 High Similarity NPC289358
0.8623 High Similarity NPC28592
0.8623 High Similarity NPC469857
0.8623 High Similarity NPC23667
0.8623 High Similarity NPC206207
0.8623 High Similarity NPC114333
0.8623 High Similarity NPC149773
0.8623 High Similarity NPC473479
0.8623 High Similarity NPC157284
0.8623 High Similarity NPC91887
0.8623 High Similarity NPC473779
0.8623 High Similarity NPC165191
0.8623 High Similarity NPC46242
0.8623 High Similarity NPC297797
0.8623 High Similarity NPC42384
0.8623 High Similarity NPC5014
0.8623 High Similarity NPC477849
0.8623 High Similarity NPC50615
0.8623 High Similarity NPC245760
0.8623 High Similarity NPC51531
0.8621 High Similarity NPC144283
0.8613 High Similarity NPC264112
0.8613 High Similarity NPC324929
0.8613 High Similarity NPC155211
0.8613 High Similarity NPC65005
0.8613 High Similarity NPC194764
0.8611 High Similarity NPC37220
0.8603 High Similarity NPC288089
0.8594 High Similarity NPC206778
0.8594 High Similarity NPC285829
0.8571 High Similarity NPC247250
0.8571 High Similarity NPC767
0.8571 High Similarity NPC95537
0.8571 High Similarity NPC472904
0.8561 High Similarity NPC190457
0.8561 High Similarity NPC143438
0.8561 High Similarity NPC294330
0.8561 High Similarity NPC231774
0.8561 High Similarity NPC223336
0.8552 High Similarity NPC280295
0.8551 High Similarity NPC49911
0.8551 High Similarity NPC277559
0.855 High Similarity NPC173978
0.855 High Similarity NPC310540
0.8538 High Similarity NPC307174
0.8529 High Similarity NPC267205
0.8529 High Similarity NPC4170
0.8529 High Similarity NPC115458
0.8521 High Similarity NPC244691
0.8511 High Similarity NPC193555
0.8511 High Similarity NPC169214
0.8511 High Similarity NPC229218
0.8511 High Similarity NPC141817
0.8511 High Similarity NPC73061
0.8511 High Similarity NPC291078
0.8511 High Similarity NPC192597
0.8511 High Similarity NPC19631
0.8511 High Similarity NPC239136
0.8511 High Similarity NPC176030
0.8504 High Similarity NPC150919
0.8503 High Similarity NPC107109
0.85 High Similarity NPC473527
0.85 High Similarity NPC471853
0.8496 Intermediate Similarity NPC107672
0.8493 Intermediate Similarity NPC35
0.8489 Intermediate Similarity NPC471974
0.8489 Intermediate Similarity NPC469680
0.8489 Intermediate Similarity NPC469681
0.8489 Intermediate Similarity NPC230811
0.8489 Intermediate Similarity NPC141368
0.8478 Intermediate Similarity NPC315275
0.8478 Intermediate Similarity NPC223836
0.8472 Intermediate Similarity NPC10842
0.8467 Intermediate Similarity NPC282780
0.8467 Intermediate Similarity NPC166480
0.8456 Intermediate Similarity NPC178976
0.8451 Intermediate Similarity NPC199936
0.8451 Intermediate Similarity NPC66593
0.8444 Intermediate Similarity NPC244441
0.8444 Intermediate Similarity NPC55949
0.844 Intermediate Similarity NPC204045
0.844 Intermediate Similarity NPC305845
0.844 Intermediate Similarity NPC246638
0.844 Intermediate Similarity NPC290550
0.8433 Intermediate Similarity NPC96024
0.8429 Intermediate Similarity NPC26924
0.8425 Intermediate Similarity NPC108288
0.8421 Intermediate Similarity NPC160499
0.8421 Intermediate Similarity NPC306765
0.8421 Intermediate Similarity NPC8745
0.8397 Intermediate Similarity NPC283514
0.8394 Intermediate Similarity NPC171968
0.8394 Intermediate Similarity NPC314048
0.8392 Intermediate Similarity NPC21599
0.8392 Intermediate Similarity NPC193703
0.8389 Intermediate Similarity NPC5379
0.8389 Intermediate Similarity NPC14561
0.8389 Intermediate Similarity NPC77807
0.8385 Intermediate Similarity NPC294361
0.8385 Intermediate Similarity NPC236520
0.8382 Intermediate Similarity NPC72669
0.8382 Intermediate Similarity NPC474517
0.838 Intermediate Similarity NPC135524
0.838 Intermediate Similarity NPC469855
0.838 Intermediate Similarity NPC471971
0.838 Intermediate Similarity NPC30846
0.838 Intermediate Similarity NPC471972
0.838 Intermediate Similarity NPC248068
0.837 Intermediate Similarity NPC276238
0.8369 Intermediate Similarity NPC315578
0.8369 Intermediate Similarity NPC476534
0.8369 Intermediate Similarity NPC96421
0.8358 Intermediate Similarity NPC69424
0.8358 Intermediate Similarity NPC176130
0.8358 Intermediate Similarity NPC78364
0.8358 Intermediate Similarity NPC84672
0.8357 Intermediate Similarity NPC175552
0.8357 Intermediate Similarity NPC123714
0.8346 Intermediate Similarity NPC10926
0.8345 Intermediate Similarity NPC141934
0.8345 Intermediate Similarity NPC193358
0.8345 Intermediate Similarity NPC272268
0.8345 Intermediate Similarity NPC191976
0.8345 Intermediate Similarity NPC476821
0.8345 Intermediate Similarity NPC474813
0.8333 Intermediate Similarity NPC470038
0.8333 Intermediate Similarity NPC478019
0.8333 Intermediate Similarity NPC37543
0.8333 Intermediate Similarity NPC199463

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC294226 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
0.9062 High Similarity NPD1470 Approved
0.8872 High Similarity NPD943 Approved
0.875 High Similarity NPD1509 Clinical (unspecified phase)
0.875 High Similarity NPD1201 Approved
0.8478 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.8207 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.8028 Intermediate Similarity NPD5404 Approved
0.8028 Intermediate Similarity NPD5406 Approved
0.8028 Intermediate Similarity NPD5408 Approved
0.8028 Intermediate Similarity NPD5405 Approved
0.7891 Intermediate Similarity NPD7390 Discontinued
0.7891 Intermediate Similarity NPD1511 Approved
0.7823 Intermediate Similarity NPD3300 Phase 2
0.781 Intermediate Similarity NPD1164 Approved
0.7785 Intermediate Similarity NPD1512 Approved
0.7771 Intermediate Similarity NPD6232 Discontinued
0.7736 Intermediate Similarity NPD7473 Discontinued
0.7662 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD3226 Approved
0.763 Intermediate Similarity NPD3019 Approved
0.7603 Intermediate Similarity NPD2344 Approved
0.7603 Intermediate Similarity NPD2346 Discontinued
0.7597 Intermediate Similarity NPD1934 Approved
0.7591 Intermediate Similarity NPD9269 Phase 2
0.7586 Intermediate Similarity NPD1510 Phase 2
0.7568 Intermediate Similarity NPD8166 Discontinued
0.7548 Intermediate Similarity NPD2801 Approved
0.7535 Intermediate Similarity NPD3764 Approved
0.75 Intermediate Similarity NPD2932 Approved
0.7462 Intermediate Similarity NPD3022 Approved
0.7462 Intermediate Similarity NPD3021 Approved
0.7452 Intermediate Similarity NPD3882 Suspended
0.7448 Intermediate Similarity NPD1607 Approved
0.7447 Intermediate Similarity NPD9494 Approved
0.7431 Intermediate Similarity NPD1240 Approved
0.7426 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD2935 Discontinued
0.74 Intermediate Similarity NPD2309 Approved
0.7365 Intermediate Similarity NPD1471 Phase 3
0.7347 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD2799 Discontinued
0.7325 Intermediate Similarity NPD1465 Phase 2
0.7315 Intermediate Similarity NPD1549 Phase 2
0.7299 Intermediate Similarity NPD9268 Approved
0.7294 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD2313 Discontinued
0.726 Intermediate Similarity NPD230 Phase 1
0.7256 Intermediate Similarity NPD3818 Discontinued
0.7254 Intermediate Similarity NPD2798 Approved
0.7252 Intermediate Similarity NPD9266 Approved
0.7252 Intermediate Similarity NPD74 Approved
0.7248 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD4380 Phase 2
0.7239 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6166 Phase 2
0.7233 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD7819 Suspended
0.72 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD3026 Approved
0.7194 Intermediate Similarity NPD3023 Approved
0.7188 Intermediate Similarity NPD3749 Approved
0.7176 Intermediate Similarity NPD2342 Discontinued
0.7176 Intermediate Similarity NPD9267 Approved
0.7176 Intermediate Similarity NPD9263 Approved
0.7176 Intermediate Similarity NPD9264 Approved
0.7176 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD3025 Approved
0.7174 Intermediate Similarity NPD3024 Approved
0.7171 Intermediate Similarity NPD6190 Approved
0.7163 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD7003 Approved
0.7105 Intermediate Similarity NPD3750 Approved
0.708 Intermediate Similarity NPD9493 Approved
0.707 Intermediate Similarity NPD7458 Discontinued
0.7063 Intermediate Similarity NPD1203 Approved
0.7059 Intermediate Similarity NPD5951 Approved
0.7055 Intermediate Similarity NPD6959 Discontinued
0.7039 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5844 Phase 1
0.6994 Remote Similarity NPD5494 Approved
0.6993 Remote Similarity NPD1876 Approved
0.6993 Remote Similarity NPD1283 Approved
0.6977 Remote Similarity NPD8150 Discontinued
0.6975 Remote Similarity NPD7075 Discontinued
0.6972 Remote Similarity NPD3972 Approved
0.6972 Remote Similarity NPD4878 Approved
0.6964 Remote Similarity NPD7074 Phase 3
0.6957 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3817 Phase 2
0.6934 Remote Similarity NPD9281 Approved
0.6929 Remote Similarity NPD1651 Approved
0.6923 Remote Similarity NPD2534 Approved
0.6923 Remote Similarity NPD2533 Approved
0.6923 Remote Similarity NPD2532 Approved
0.6914 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7054 Approved
0.6897 Remote Similarity NPD258 Approved
0.6897 Remote Similarity NPD257 Approved
0.6894 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6892 Remote Similarity NPD6663 Approved
0.6883 Remote Similarity NPD4628 Phase 3
0.6875 Remote Similarity NPD7411 Suspended
0.6871 Remote Similarity NPD4381 Clinical (unspecified phase)
0.687 Remote Similarity NPD9261 Approved
0.6864 Remote Similarity NPD7472 Approved
0.6859 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6857 Remote Similarity NPD9545 Approved
0.6855 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6852 Remote Similarity NPD2296 Approved
0.6849 Remote Similarity NPD5736 Approved
0.6842 Remote Similarity NPD2796 Approved
0.6842 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6797 Phase 2
0.6821 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1237 Approved
0.6813 Remote Similarity NPD6599 Discontinued
0.6802 Remote Similarity NPD8312 Approved
0.6802 Remote Similarity NPD8313 Approved
0.6788 Remote Similarity NPD7635 Approved
0.6784 Remote Similarity NPD7251 Discontinued
0.6784 Remote Similarity NPD5029 Approved
0.6784 Remote Similarity NPD5031 Approved
0.6784 Remote Similarity NPD5027 Approved
0.6783 Remote Similarity NPD3092 Approved
0.6783 Remote Similarity NPD1281 Approved
0.6776 Remote Similarity NPD3748 Approved
0.6772 Remote Similarity NPD6273 Approved
0.6769 Remote Similarity NPD3020 Approved
0.6766 Remote Similarity NPD3926 Phase 2
0.6761 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6761 Remote Similarity NPD2286 Discontinued
0.6752 Remote Similarity NPD6799 Approved
0.675 Remote Similarity NPD3455 Phase 2
0.6746 Remote Similarity NPD3751 Discontinued
0.6744 Remote Similarity NPD288 Approved
0.6744 Remote Similarity NPD5026 Approved
0.6744 Remote Similarity NPD5034 Approved
0.6744 Remote Similarity NPD4955 Approved
0.6744 Remote Similarity NPD36 Approved
0.6744 Remote Similarity NPD5028 Approved
0.6744 Remote Similarity NPD4954 Approved
0.6742 Remote Similarity NPD6534 Approved
0.6742 Remote Similarity NPD6535 Approved
0.6738 Remote Similarity NPD3091 Approved
0.6736 Remote Similarity NPD9717 Approved
0.6735 Remote Similarity NPD9569 Approved
0.6732 Remote Similarity NPD1551 Phase 2
0.673 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6728 Remote Similarity NPD6801 Discontinued
0.6727 Remote Similarity NPD6234 Discontinued
0.6726 Remote Similarity NPD1220 Phase 1
0.6726 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6712 Remote Similarity NPD3094 Phase 2
0.6711 Remote Similarity NPD411 Approved
0.671 Remote Similarity NPD2800 Approved
0.6707 Remote Similarity NPD7768 Phase 2
0.6706 Remote Similarity NPD1221 Approved
0.6705 Remote Similarity NPD3534 Clinical (unspecified phase)
0.669 Remote Similarity NPD1755 Approved
0.6689 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1933 Approved
0.6686 Remote Similarity NPD5030 Phase 2
0.6685 Remote Similarity NPD6212 Phase 3
0.6685 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6213 Phase 3
0.6667 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2859 Approved
0.6667 Remote Similarity NPD2860 Approved
0.6667 Remote Similarity NPD844 Approved
0.6667 Remote Similarity NPD5536 Phase 2
0.6667 Remote Similarity NPD4308 Phase 3
0.6667 Remote Similarity NPD1932 Approved
0.6648 Remote Similarity NPD6780 Approved
0.6648 Remote Similarity NPD6776 Approved
0.6648 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6648 Remote Similarity NPD6782 Approved
0.6648 Remote Similarity NPD6777 Approved
0.6648 Remote Similarity NPD6778 Approved
0.6648 Remote Similarity NPD6781 Approved
0.6648 Remote Similarity NPD6779 Approved
0.6647 Remote Similarity NPD7808 Phase 3
0.6647 Remote Similarity NPD1247 Approved
0.6646 Remote Similarity NPD5978 Approved
0.6646 Remote Similarity NPD5977 Approved
0.6646 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6644 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6643 Remote Similarity NPD4059 Approved
0.6643 Remote Similarity NPD4626 Approved
0.663 Remote Similarity NPD7700 Phase 2
0.663 Remote Similarity NPD7699 Phase 2
0.6627 Remote Similarity NPD919 Approved

Structure

External Identifiers

PubChem CID   6293
ChEMBL   CHEMBL55814
ZINC  

Physicochemical Properties

Molecular Weight:  240.04
ALogP:  -1.4482
MLogP:  2.56
XLogP:  2.155
# Rotatable Bonds:  2
Polar Surface Area:  74.6
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

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