Natural Product: NPC282294

Natural Product ID:  NPC282294
Common Name:   Ethacrynic Acid
IUPAC Name:   2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Synonyms:   Edecrin; Etacrynic Acid; Ethacrynic acid; Hydromedin; MK-595; Reomax
Molecular Formula:   C13H12Cl2O4
Standard InCHIKey:  AVOLMBLBETYQHX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
Canonical SMILES:  CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)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
NPO11144 Centella asiatica Species Apiaceae Eukaryota TCM_Taiwan*
NPO11144 Centella asiatica Species Apiaceae Eukaryota TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1403 Organism Felis catus Felis catus IC50 = 1000 nM 7086844
NPT1403 Organism Felis catus Felis catus Mortality = 14 7086844
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 7288822
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 100 ug/ml 7288822
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 7288822
NPT3173 Organism Arthroderma benhamiae Arthroderma benhamiae MIC > 100 ug/ml 7288822
NPT21 Organism Aspergillus niger Aspergillus niger MIC > 100 ug/ml 7288822
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens IC50 = 4000 nM 16675217
NPT5689 Individual Protein Glutathione S-transferase A1 Homo sapiens IC50 = 5000 nM 16675217
NPT5690 Individual Protein UDP-glucose 4-epimerase Homo sapiens IC50 = 14000 nM 16962325
NPT2 Others Unspecified IC50 = 3100 nM 16962325
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei EC50 = 3300 nM 16962325
NPT913 Cell Line CHO-K1 Cricetulus griseus EC50 = 56000 nM 16962325
NPT2 Others Unspecified Inhibition > 75 % 16962325
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens Inhibition = 94.4 % 17287120
NPT116 Cell Line HL-60 Homo sapiens GI50 = 44200 nM 17287120
NPT2 Others Unspecified EC50 = 9900 nM 19121941
NPT2 Others Unspecified IC50 = 32700 nM 19121941
NPT116 Cell Line HL-60 Homo sapiens GI50 = 45000 nM 20055416
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens IC50 = 3400 nM 20055416
NPT5691 Individual Protein Hematopoietic prostaglandin D synthase Homo sapiens Inhibition = 25.3 % 19939518
NPT5691 Individual Protein Hematopoietic prostaglandin D synthase Homo sapiens IC50 = 122300 nM 19939518
NPT2 Others Unspecified IC20 > 0.1 nM 20172724
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 50118.7 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 4466.8 nM PubChem BioAssay data set
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT47 Individual Protein ATP-dependent DNA helicase Q1 Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 79432.8 nM PubChem BioAssay data set
NPT1197 Individual Protein Huntingtin Homo sapiens Potency = 5623.4 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 79432.8 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 35481.3 nM PubChem BioAssay data set
NPT211 Individual Protein Hypoxia-inducible factor 1 alpha Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 29092.9 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 35481.3 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 22387.2 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 19952.6 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 10380 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 11280 nM PubChem BioAssay data set
NPT54 Individual Protein Nonstructural protein 1 Influenza A virus Potency = 3981.1 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 35481.3 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 17740.7 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 6309.6 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 15848.9 nM PubChem BioAssay data set
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 14125.4 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT524 Individual Protein Serine-protein kinase ATM Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 63095.7 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 631 nM PubChem BioAssay data set
NPT2 Others Unspecified IC20 = 0.01 nM 21227691
NPT2 Others Unspecified IC20 = 0.08 nM 21227691
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 14581 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 4832 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 4190 nM PubChem BioAssay data set
NPT4 Individual Protein Large T antigen Simian virus 40 IC50 > 100000 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 32642.7 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 70794.6 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens AC50 = 630.96 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 2238.7 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 14715.7 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 11995.5 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT540 Individual Protein Bile acid receptor FXR Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 19952.6 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 39810.7 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT9 Individual Protein DNA polymerase eta Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4466.8 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 15101.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18356.4 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT546 Individual Protein Retinoid X receptor alpha Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT702 Individual Protein UDP-glucuronosyltransferase 1-6 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT901 Individual Protein UDP-glucuronosyltransferase 1-1 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT68 Individual Protein Aldose reductase Rattus norvegicus IC50 = 1150 nM DrugMatrix in vitro pharmacology data
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens Inhibition = 65.1 % 22370342
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens Inhibition = 24.2 % 22370342
NPT116 Cell Line HL-60 Homo sapiens GI50 = 44200 nM 22370342
NPT367 Cell Line MDA-N Homo sapiens GI50 23120.65 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 19952.62 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 26791.68 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 19498.45 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 12246.16 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 28313.92 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 29512.09 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 7870.46 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 25822.6 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 16865.53 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 35809.64 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 52966.34 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 16069.41 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 20230.19 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 26730.06 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 20511.62 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 29785.16 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 17538.81 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 15559.66 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 19588.45 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 16069.41 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 31622.78 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 19275.25 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 14825.18 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 5495.41 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 18450.15 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 4547.9 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 32960.97 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 14454.4 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 20044.72 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 14655.48 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 4988.84 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 17100.15 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 91833.26 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 17823.79 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 21777.1 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 22594.36 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 23067.47 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 16749.43 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 17498.47 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 24888.57 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 6053.41 nM PubChem BioAssay data set
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT888 Individual Protein 78 kDa glucose-regulated protein Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 48083.93 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 9354.06 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 44258.84 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 15205.48 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 14859.36 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 17498.47 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 21978.6 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 35563.13 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 6934.26 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 20464.45 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 35809.64 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 17906.06 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 15523.87 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 17619.76 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 18155.16 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 19010.78 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens IC50 = 84000 nM 22607679
NPT666 Individual Protein Solute carrier family 22 member 6 Rattus norvegicus Inhibition > 85 % 9228014
NPT10 Individual Protein Geminin Homo sapiens Potency 2310.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 18837.5 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 23109.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 2371 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 7079.5 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 5011.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29092.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 11885.6 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42163.2 nM PubChem BioAssay data set
NPT821 Individual Protein Werner syndrome ATP-dependent helicase Homo sapiens Potency 2667.9 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 3548.1 nM PubChem BioAssay data set
NPT103 Individual Protein Nuclear receptor ROR-gamma Homo sapiens Potency 37578 nM PubChem BioAssay data set
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens Inhibition = 88.6 % 10.1007/s00044-011-9806-y
NPT5009 Individual Protein Glutathione S-transferase Pi Homo sapiens Inhibition = 78.34 % 23274570
NPT2 Others Unspecified Potency 23109.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14963.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16788.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 18356.4 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 111.8 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 171.77 % 23571415
NPT2 Others Unspecified Potency 68101.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28183.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 26832.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8912.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 43337 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 19193.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1211 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 89125.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9619.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7562.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68684.5 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 764.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11882.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10885.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54095.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16784.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 29847 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 38624.2 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54558.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27815.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24370.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 11985.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48624.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60695.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 66824.2 nM PubChem BioAssay data set
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency 26679.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 48624.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48212.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21130 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2660.3 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
NPT2 Others Unspecified Potency 21720 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43337 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 23708.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 42969.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18833.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27343.8 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 33488.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76411.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 18832.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1524.6 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 34423.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24163.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 2989 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 194 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 3324 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 22 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 188 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 52 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 244 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 6 uEq/min 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 21 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 5 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 26 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 560 ml 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 37 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 7 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 42 milliequivalent 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 571 ml 1263205
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 2989 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 188 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 194 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 52 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 3324 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 244 uEq/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 22 ml/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 6 ml/min 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 21 milliequivalent 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 5 milliequivalent 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 26 milliequivalent 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 560 ml 1263208
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 21 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 5 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 26 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 560 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 8 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 2 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 10 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 459 equiv 940118
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 21 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 37 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 5 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 7 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 26 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 42 milliequivalent 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 188 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 2989 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 52 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 194 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 244 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 3324 uEq/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 6 ml/min 950646
NPT1016 Organism Canis familiaris Canis lupus familiaris Activity = 22 ml/min 950646
NPT2 Others Unspecified AC50 17790 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54558.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 25118.9 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 54558.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 316.2 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 11873.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 12224.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 20000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30106.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 6666.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19357.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 14125.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 15848.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 54530 nM 27156773
NPT2 Others Unspecified IC50 = 30220 nM 27156773
NPT139 Cell Line HT-29 Homo sapiens IC50 = 62390 nM 27156773
NPT83 Cell Line MCF7 Homo sapiens IC50 = 28920 nM 27156773
NPT784 Cell Line MDA-MB-468 Homo sapiens IC50 = 81450 nM 27156773
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 45240 nM 27156773
NPT2 Others Unspecified IC50 = 34210 nM 27156773
NPT2 Others Unspecified IC50 = 31650 nM 27156773
NPT2 Others Unspecified IC50 = 29880 nM 27156773
NPT2 Others Unspecified IC50 = 44290 nM 27156773
NPT32 Organism Mus musculus Mus musculus FC <= 6 27156773

  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 NPC282294 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
0.7974 Intermediate Similarity NPC86087
0.7935 Intermediate Similarity NPC182475
0.7383 Intermediate Similarity NPC291189
0.7383 Intermediate Similarity NPC69403
0.7379 Intermediate Similarity NPC470860
0.7303 Intermediate Similarity NPC475236
0.7299 Intermediate Similarity NPC472032
0.729 Intermediate Similarity NPC104854
0.7285 Intermediate Similarity NPC221798
0.7188 Intermediate Similarity NPC284409
0.717 Intermediate Similarity NPC64230
0.717 Intermediate Similarity NPC71638
0.7161 Intermediate Similarity NPC66246
0.7161 Intermediate Similarity NPC170546
0.7153 Intermediate Similarity NPC23332
0.7151 Intermediate Similarity NPC108278
0.7123 Intermediate Similarity NPC252004
0.7119 Intermediate Similarity NPC107283
0.7115 Intermediate Similarity NPC30390
0.7115 Intermediate Similarity NPC183348
0.7115 Intermediate Similarity NPC282230
0.7114 Intermediate Similarity NPC61779
0.711 Intermediate Similarity NPC298401
0.7097 Intermediate Similarity NPC2596
0.7089 Intermediate Similarity NPC66158
0.7086 Intermediate Similarity NPC234053
0.7086 Intermediate Similarity NPC68850
0.7083 Intermediate Similarity NPC183648
0.7081 Intermediate Similarity NPC39409
0.7075 Intermediate Similarity NPC220540
0.707 Intermediate Similarity NPC470977
0.707 Intermediate Similarity NPC11173
0.707 Intermediate Similarity NPC15083
0.707 Intermediate Similarity NPC196979
0.707 Intermediate Similarity NPC470976
0.7069 Intermediate Similarity NPC473696
0.7063 Intermediate Similarity NPC294470
0.7055 Intermediate Similarity NPC184053
0.7047 Intermediate Similarity NPC204617
0.7047 Intermediate Similarity NPC293424
0.7045 Intermediate Similarity NPC474061
0.7039 Intermediate Similarity NPC90577
0.7027 Intermediate Similarity NPC471803
0.7025 Intermediate Similarity NPC76453
0.7013 Intermediate Similarity NPC52035
0.7011 Intermediate Similarity NPC472405
0.7006 Intermediate Similarity NPC129650
0.7 Intermediate Similarity NPC139519
0.6993 Remote Similarity NPC473942
0.6993 Remote Similarity NPC141252
0.6993 Remote Similarity NPC11799
0.6989 Remote Similarity NPC121100
0.6989 Remote Similarity NPC58653
0.6989 Remote Similarity NPC173352
0.6984 Remote Similarity NPC313541
0.698 Remote Similarity NPC161768
0.697 Remote Similarity NPC473090
0.6952 Remote Similarity NPC471807
0.6952 Remote Similarity NPC471810
0.6952 Remote Similarity NPC471806
0.6949 Remote Similarity NPC28669
0.6944 Remote Similarity NPC470422
0.6943 Remote Similarity NPC939
0.6943 Remote Similarity NPC473019
0.6939 Remote Similarity NPC11824
0.6933 Remote Similarity NPC27633
0.6933 Remote Similarity NPC94298
0.6932 Remote Similarity NPC470081
0.6923 Remote Similarity NPC477941
0.6923 Remote Similarity NPC16651
0.6923 Remote Similarity NPC32163
0.6918 Remote Similarity NPC57879
0.6918 Remote Similarity NPC50763
0.6918 Remote Similarity NPC111888
0.6909 Remote Similarity NPC150023
0.6908 Remote Similarity NPC225245
0.6903 Remote Similarity NPC470858
0.6903 Remote Similarity NPC165556
0.6899 Remote Similarity NPC298268
0.6899 Remote Similarity NPC285776
0.6899 Remote Similarity NPC109778
0.6898 Remote Similarity NPC471805
0.6898 Remote Similarity NPC471813
0.6897 Remote Similarity NPC259554
0.6897 Remote Similarity NPC234639
0.6894 Remote Similarity NPC303217
0.689 Remote Similarity NPC79908
0.689 Remote Similarity NPC326065
0.689 Remote Similarity NPC80098
0.6887 Remote Similarity NPC264976
0.6886 Remote Similarity NPC291153
0.6885 Remote Similarity NPC471801
0.6882 Remote Similarity NPC116822
0.6879 Remote Similarity NPC313922
0.6879 Remote Similarity NPC2401
0.6875 Remote Similarity NPC159418
0.6875 Remote Similarity NPC283823
0.6871 Remote Similarity NPC325625
0.6867 Remote Similarity NPC200207
0.6867 Remote Similarity NPC469954
0.6864 Remote Similarity NPC211811
0.6859 Remote Similarity NPC474476
0.6859 Remote Similarity NPC154275
0.6855 Remote Similarity NPC125153
0.6845 Remote Similarity NPC471812
0.6845 Remote Similarity NPC471804
0.6842 Remote Similarity NPC230951
0.6842 Remote Similarity NPC295650
0.6839 Remote Similarity NPC472404
0.6832 Remote Similarity NPC311339
0.6831 Remote Similarity NPC28160
0.6831 Remote Similarity NPC471802
0.6826 Remote Similarity NPC470216
0.6826 Remote Similarity NPC213900
0.6821 Remote Similarity NPC152159
0.6818 Remote Similarity NPC311219
0.6815 Remote Similarity NPC293387
0.6815 Remote Similarity NPC121104
0.6815 Remote Similarity NPC37512
0.6813 Remote Similarity NPC153453
0.6813 Remote Similarity NPC470859
0.6813 Remote Similarity NPC477568
0.6813 Remote Similarity NPC302844
0.6809 Remote Similarity NPC470100
0.6807 Remote Similarity NPC28326
0.6806 Remote Similarity NPC1065
0.6805 Remote Similarity NPC294972
0.6805 Remote Similarity NPC472969
0.68 Remote Similarity NPC131192
0.6796 Remote Similarity NPC188618
0.6795 Remote Similarity NPC473626
0.6793 Remote Similarity NPC306240
0.6792 Remote Similarity NPC327457
0.6792 Remote Similarity NPC86774
0.6792 Remote Similarity NPC66905
0.679 Remote Similarity NPC212729
0.6789 Remote Similarity NPC247104
0.6788 Remote Similarity NPC230902
0.6786 Remote Similarity NPC474044
0.6782 Remote Similarity NPC472623
0.678 Remote Similarity NPC269383
0.678 Remote Similarity NPC474096
0.678 Remote Similarity NPC151030
0.6776 Remote Similarity NPC45072
0.6774 Remote Similarity NPC475691
0.6774 Remote Similarity NPC474691
0.677 Remote Similarity NPC19719
0.677 Remote Similarity NPC129889
0.677 Remote Similarity NPC307006
0.677 Remote Similarity NPC477280
0.677 Remote Similarity NPC477281
0.6768 Remote Similarity NPC107571
0.6766 Remote Similarity NPC469615
0.6765 Remote Similarity NPC73411
0.6765 Remote Similarity NPC98809
0.6765 Remote Similarity NPC215711
0.6765 Remote Similarity NPC476394
0.6757 Remote Similarity NPC48525
0.6755 Remote Similarity NPC217423
0.6755 Remote Similarity NPC45104
0.6755 Remote Similarity NPC313386
0.6755 Remote Similarity NPC240664
0.6755 Remote Similarity NPC316091
0.6752 Remote Similarity NPC110211
0.6752 Remote Similarity NPC204579
0.6748 Remote Similarity NPC215109
0.6748 Remote Similarity NPC170604
0.6746 Remote Similarity NPC148011
0.6746 Remote Similarity NPC229190
0.6746 Remote Similarity NPC1940
0.674 Remote Similarity NPC277865
0.6737 Remote Similarity NPC221185
0.6737 Remote Similarity NPC220369
0.6736 Remote Similarity NPC128730
0.6733 Remote Similarity NPC51345
0.6731 Remote Similarity NPC89630
0.6731 Remote Similarity NPC184219
0.673 Remote Similarity NPC238309
0.673 Remote Similarity NPC246991
0.673 Remote Similarity NPC226855
0.6728 Remote Similarity NPC144662
0.6728 Remote Similarity NPC471110
0.6727 Remote Similarity NPC288452
0.6727 Remote Similarity NPC473988
0.6727 Remote Similarity NPC475045
0.6727 Remote Similarity NPC201370
0.6727 Remote Similarity NPC473983
0.6727 Remote Similarity NPC289690
0.6726 Remote Similarity NPC469683
0.6726 Remote Similarity NPC113397
0.6725 Remote Similarity NPC473091
0.6724 Remote Similarity NPC473241
0.6721 Remote Similarity NPC264922
0.672 Remote Similarity NPC470099
0.6711 Remote Similarity NPC109241
0.6711 Remote Similarity NPC205502
0.671 Remote Similarity NPC475692
0.6709 Remote Similarity NPC281020
0.6709 Remote Similarity NPC286683
0.6709 Remote Similarity NPC203719

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC282294 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
1.0 High Similarity NPD958 Approved
0.9792 High Similarity NPD957 Approved
0.8614 High Similarity NPD1163 Approved
0.8117 Intermediate Similarity NPD2354 Approved
0.8082 Intermediate Similarity NPD454 Approved
0.8 Intermediate Similarity NPD3887 Approved
0.7974 Intermediate Similarity NPD2353 Approved
0.7974 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD4534 Discontinued
0.7346 Intermediate Similarity NPD6799 Approved
0.725 Intermediate Similarity NPD5958 Discontinued
0.7233 Intermediate Similarity NPD1501 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1184 Approved
0.7169 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD987 Approved
0.7086 Intermediate Similarity NPD2403 Approved
0.7083 Intermediate Similarity NPD6599 Discontinued
0.7055 Intermediate Similarity NPD4628 Phase 3
0.7055 Intermediate Similarity NPD1241 Discontinued
0.7051 Intermediate Similarity NPD2598 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6798 Discontinued
0.6962 Remote Similarity NPD6233 Phase 2
0.6962 Remote Similarity NPD4062 Phase 3
0.6959 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6933 Remote Similarity NPD9545 Approved
0.6901 Remote Similarity NPD6801 Discontinued
0.689 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6355 Discontinued
0.6839 Remote Similarity NPD7075 Discontinued
0.6821 Remote Similarity NPD3817 Phase 2
0.6818 Remote Similarity NPD9717 Approved
0.6786 Remote Similarity NPD5401 Approved
0.676 Remote Similarity NPD3366 Approved
0.6759 Remote Similarity NPD1358 Approved
0.6757 Remote Similarity NPD769 Approved
0.6746 Remote Similarity NPD5049 Phase 3
0.6744 Remote Similarity NPD3274 Phase 2
0.6709 Remote Similarity NPD9494 Approved
0.6706 Remote Similarity NPD5403 Approved
0.6703 Remote Similarity NPD6784 Approved
0.6703 Remote Similarity NPD6785 Approved
0.6686 Remote Similarity NPD4972 Discontinued
0.6667 Remote Similarity NPD6832 Phase 2
0.6667 Remote Similarity NPD690 Clinical (unspecified phase)
0.6646 Remote Similarity NPD2799 Discontinued
0.6646 Remote Similarity NPD1019 Discontinued
0.6605 Remote Similarity NPD3142 Approved
0.6605 Remote Similarity NPD3140 Approved
0.6603 Remote Similarity NPD3972 Approved
0.6601 Remote Similarity NPD1894 Discontinued
0.6591 Remote Similarity NPD3882 Suspended
0.6588 Remote Similarity NPD1578 Phase 2
0.6584 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6582 Remote Similarity NPD1203 Approved
0.6579 Remote Similarity NPD694 Clinical (unspecified phase)
0.6571 Remote Similarity NPD3465 Clinical (unspecified phase)
0.6564 Remote Similarity NPD447 Suspended
0.6538 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6527 Remote Similarity NPD1549 Phase 2
0.6522 Remote Similarity NPD7095 Approved
0.6522 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6517 Remote Similarity NPD919 Approved
0.6514 Remote Similarity NPD4018 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1481 Phase 2
0.6497 Remote Similarity NPD1608 Approved
0.6486 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6486 Remote Similarity NPD2684 Approved
0.6485 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6485 Remote Similarity NPD4536 Approved
0.6485 Remote Similarity NPD4538 Approved
0.6481 Remote Similarity NPD2313 Discontinued
0.6467 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6467 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6463 Remote Similarity NPD3134 Approved
0.6463 Remote Similarity NPD4340 Discontinued
0.6463 Remote Similarity NPD230 Phase 1
0.6463 Remote Similarity NPD1933 Approved
0.6457 Remote Similarity NPD7411 Suspended
0.6441 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6441 Remote Similarity NPD5402 Approved
0.644 Remote Similarity NPD3819 Phase 2
0.6438 Remote Similarity NPD5647 Approved
0.6437 Remote Similarity NPD7458 Discontinued
0.6433 Remote Similarity NPD1535 Discovery
0.6424 Remote Similarity NPD7843 Approved
0.641 Remote Similarity NPD6516 Phase 2
0.641 Remote Similarity NPD17 Approved
0.641 Remote Similarity NPD5846 Approved
0.6407 Remote Similarity NPD2240 Approved
0.6407 Remote Similarity NPD2239 Approved
0.6407 Remote Similarity NPD2796 Approved
0.6402 Remote Similarity NPD4060 Phase 1
0.6402 Remote Similarity NPD1240 Approved
0.6395 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3146 Approved
0.6395 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6384 Remote Similarity NPD7819 Suspended
0.638 Remote Similarity NPD3268 Approved
0.638 Remote Similarity NPD411 Approved
0.6375 Remote Similarity NPD3266 Approved
0.6375 Remote Similarity NPD3267 Approved
0.6374 Remote Similarity NPD7440 Discontinued
0.6369 Remote Similarity NPD2344 Approved
0.6369 Remote Similarity NPD1471 Phase 3
0.6369 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9493 Approved
0.6364 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6358 Remote Similarity NPD1512 Approved
0.6353 Remote Similarity NPD3750 Approved
0.6347 Remote Similarity NPD3748 Approved
0.6347 Remote Similarity NPD5960 Phase 3
0.6347 Remote Similarity NPD1510 Phase 2
0.6347 Remote Similarity NPD5588 Approved
0.6347 Remote Similarity NPD4308 Phase 3
0.6331 Remote Similarity NPD970 Clinical (unspecified phase)
0.6328 Remote Similarity NPD1934 Approved
0.6325 Remote Similarity NPD1607 Approved
0.6322 Remote Similarity NPD920 Approved
0.6313 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6312 Remote Similarity NPD1876 Approved
0.631 Remote Similarity NPD1551 Phase 2
0.631 Remote Similarity NPD2935 Discontinued
0.6309 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6306 Remote Similarity NPD1778 Approved
0.6303 Remote Similarity NPD4307 Phase 2
0.6299 Remote Similarity NPD7157 Approved
0.6294 Remote Similarity NPD1243 Approved
0.6279 Remote Similarity NPD643 Clinical (unspecified phase)
0.6279 Remote Similarity NPD5058 Phase 3
0.6278 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6273 Remote Similarity NPD2797 Approved
0.6272 Remote Similarity NPD2346 Discontinued
0.6266 Remote Similarity NPD3496 Discontinued
0.6264 Remote Similarity NPD6273 Approved
0.6264 Remote Similarity NPD2186 Approved
0.6257 Remote Similarity NPD4535 Phase 3
0.625 Remote Similarity NPD4359 Approved
0.625 Remote Similarity NPD3769 Discontinued
0.6243 Remote Similarity NPD1511 Approved
0.6243 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6237 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6235 Remote Similarity NPD2798 Approved
0.6229 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6221 Remote Similarity NPD2309 Approved
0.6216 Remote Similarity NPD9501 Approved
0.6215 Remote Similarity NPD4380 Phase 2
0.6211 Remote Similarity NPD1283 Approved
0.6209 Remote Similarity NPD5535 Approved
0.6207 Remote Similarity NPD4662 Approved
0.6207 Remote Similarity NPD4661 Approved
0.6207 Remote Similarity NPD642 Clinical (unspecified phase)
0.6201 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6201 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6201 Remote Similarity NPD2801 Approved
0.62 Remote Similarity NPD290 Approved
0.619 Remote Similarity NPD4338 Clinical (unspecified phase)
0.618 Remote Similarity NPD6386 Approved
0.618 Remote Similarity NPD6385 Approved
0.6175 Remote Similarity NPD1247 Approved
0.6174 Remote Similarity NPD9697 Approved
0.617 Remote Similarity NPD7993 Clinical (unspecified phase)
0.617 Remote Similarity NPD6797 Phase 2
0.6164 Remote Similarity NPD3847 Discontinued
0.6163 Remote Similarity NPD4110 Phase 3
0.6163 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6163 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6162 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6162 Remote Similarity NPD6166 Phase 2
0.6162 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6159 Remote Similarity NPD2614 Approved
0.6149 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6145 Remote Similarity NPD7029 Discontinued
0.614 Remote Similarity NPD2897 Discontinued
0.6138 Remote Similarity NPD7251 Discontinued
0.6131 Remote Similarity NPD6653 Approved
0.6127 Remote Similarity NPD6190 Approved
0.6125 Remote Similarity NPD1281 Approved
0.6125 Remote Similarity NPD422 Phase 1
0.6118 Remote Similarity NPD4477 Approved
0.6118 Remote Similarity NPD4476 Approved
0.6118 Remote Similarity NPD2067 Discontinued
0.6115 Remote Similarity NPD9092 Discovery
0.6115 Remote Similarity NPD5536 Phase 2
0.6114 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7460 Discontinued
0.6111 Remote Similarity NPD3225 Approved
0.6111 Remote Similarity NPD7972 Discontinued
0.6105 Remote Similarity NPD3936 Clinical (unspecified phase)
0.6105 Remote Similarity NPD7808 Phase 3
0.6105 Remote Similarity NPD1416 Approved
0.6096 Remote Similarity NPD2163 Approved
0.6095 Remote Similarity NPD7097 Phase 1
0.6093 Remote Similarity NPD9552 Approved
0.609 Remote Similarity NPD9685 Approved
0.6084 Remote Similarity NPD3764 Approved
0.6084 Remote Similarity NPD1048 Approved
0.6084 Remote Similarity NPD1296 Phase 2
0.608 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6077 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6075 Remote Similarity NPD7852 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   3278
ChEMBL   CHEMBL456
ZINC  

Physicochemical Properties

Molecular Weight:  302.01
ALogP:  1.4479
MLogP:  2.23
XLogP:  2.362
# Rotatable Bonds:  10
Polar Surface Area:  63.6
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  19

Download Data

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Biological Activities  
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