Detailed information for compound 1593983

Basic information

Technical information
  • TDR Targets ID: 1593983
  • Name: 4-chloro-N-methyl-N-(4-pyridin-2-ylpiperazine -1-carbothioyl)benzamide
  • MW: 374.888 | Formula: C18H19ClN4OS
  • H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)N(C(=S)N1CCN(CC1)c1ccccn1)C
  • InChi: 1S/C18H19ClN4OS/c1-21(17(24)14-5-7-15(19)8-6-14)18(25)23-12-10-22(11-13-23)16-4-2-3-9-20-16/h2-9H,10-13H2,1H3
  • InChiKey: ODPKTLWURVESGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-methyl-N-[4-(2-pyridyl)piperazine-1-carbothioyl]benzamide
  • 4-chloro-N-methyl-N-[[4-(2-pyridyl)-1-piperazinyl]-thioxomethyl]benzamide
  • 4-chloro-N-methyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-benzamide
  • 4-Chloro-N-methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide
  • AIDS-141317
  • AIDS141317
  • NSC656460
  • NCI60_019573

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Echinococcus granulosus FTZ F1 alpha 0.0428 0.4502 0.5741
Brugia malayi hypothetical protein 0.0234 0.2336 0.2318
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Loa Loa (eye worm) hypothetical protein 0.0234 0.2336 0.2336
Brugia malayi Nuclear hormone receptor-like 1 0.0234 0.2336 0.2318
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0023 0.0295
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0073 0.099
Brugia malayi nuclear hormone receptor family member nhr-6 0.0194 0.1894 0.1876
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0073 0.6126
Echinococcus multilocularis pyruvate kinase 0.0035 0.0118 0.0106
Leishmania major pyruvate kinase 0.0035 0.0118 0.1616
Echinococcus multilocularis nuclear receptor nhr 48 0.0194 0.1894 0.2395
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0118 0.0041
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0263 0.0263
Echinococcus granulosus thioredoxin glutathione reductase 0.009 0.0729 0.086
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0118 0.1616
Echinococcus multilocularis FTZ F1 alpha 0.0428 0.4502 0.5756
Brugia malayi photoreceptor-specific nuclear receptor 0.0428 0.4502 0.4489
Brugia malayi Thioredoxin reductase 0.0089 0.0723 0.0702
Brugia malayi nuclear hormone receptor 0.0194 0.1894 0.1876
Schistosoma mansoni pyruvate kinase 0.0035 0.0118 0.0059
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0118 0.1361
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0263 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0428 0.4502 0.4502
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0031 0.0073 0.6126
Brugia malayi conserved hypotetical protein 0.0194 0.1894 0.1876
Brugia malayi hypothetical protein 0.0194 0.1894 0.1876
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0073 0.099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0428 0.4502 0.4502
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0073 0.0716
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Echinococcus multilocularis muscleblind protein 1 0.0157 0.1474 0.1854
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0428 0.4502 0.4502
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0077 0.0017
Onchocerca volvulus 0.0087 0.07 0.0628
Brugia malayi Nuclear hormone receptor E75 0.0194 0.1894 0.1876
Plasmodium vivax SET domain protein, putative 0.0031 0.0077 0.1048
Brugia malayi Nuclear hormone receptor-like 1 0.0234 0.2336 0.2318
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0428 0.4502 0.4502
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0118 0.0041
Echinococcus granulosus L aminoadipate semialdehyde 0.0087 0.07 0.0822
Schistosoma mansoni thyroid hormone receptor 0.0428 0.4502 0.5736
Toxoplasma gondii thioredoxin reductase 0.0089 0.0723 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0204 0.1997 0.8874
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0118 0.1361
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0428 0.4502 0.5756
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0428 0.4502 0.5756
Schistosoma mansoni nuclear receptor nhr-48 0.0194 0.1894 0.2359
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0073 0.0716
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0073 0.099
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0073 0.0011
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0194 0.1894 0.1876
Echinococcus multilocularis L aminoadipate semialdehyde 0.0087 0.07 0.0856
Trypanosoma cruzi trypanothione reductase, putative 0.0089 0.0723 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0428 0.4502 0.5756
Brugia malayi Pre-SET motif family protein 0.0031 0.0077 0.0054
Brugia malayi nuclear receptor NHR-88 0.0428 0.4502 0.4489
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0118 0.0118
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0428 0.4502 0.5736
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0073 0.099
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0087 0.07 0.0679
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0118 0.0041
Plasmodium vivax thioredoxin reductase, putative 0.0089 0.0723 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0077 0.0005
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0118 0.1616
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.2161 0.2161
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0428 0.4502 0.4459
Brugia malayi nuclear hormone receptor 0.0428 0.4502 0.4489
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0428 0.4502 0.5741
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0428 0.4502 0.5736
Brugia malayi Pre-SET motif family protein 0.0218 0.2161 0.2143
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0118 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0428 0.4502 0.4489
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0194 0.1894 0.2367
Giardia lamblia Pyruvate kinase 0.0035 0.0118 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0087 0.07 0.0812
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0428 0.4502 0.4502
Loa Loa (eye worm) hypothetical protein 0.0026 0.0023 0.0023
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1123 0.1123
Echinococcus multilocularis geminin 0.0178 0.1709 0.2156
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0077 0.0005
Echinococcus multilocularis ecdysone induced protein 78C 0.0428 0.4502 0.5756
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0194 0.1894 0.2395
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0428 0.4502 0.5736
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0077 0.1048
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0194 0.1894 0.2359
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0118 0.0186
Onchocerca volvulus 0.0248 0.2497 0.2438
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0118 0.0518
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0234 0.2336 0.2931
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0118 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0118 0.007
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0073 0.099
Schistosoma mansoni nuclear hormone receptor 0.0194 0.1894 0.2359
Brugia malayi nuclear receptor RXR 0.0234 0.2336 0.2318
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0077 0.0053
Loa Loa (eye worm) steroid hormone receptor 0.0889 0.9637 0.9637
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0428 0.4502 0.4489
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0023 0.0295
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0118 0.0095
Leishmania major trypanothione reductase 0.0089 0.0723 1
Loa Loa (eye worm) hypothetical protein 0.0922 1 1
Entamoeba histolytica hypothetical protein 0.0025 0.0001 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0194 0.1894 0.2367
Echinococcus granulosus microtubule associated protein 2 0.0724 0.7794 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0234 0.2336 0.2939
Plasmodium falciparum glutathione reductase 0.0089 0.0723 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0428 0.4502 0.4489
Plasmodium falciparum glutathione reductase 0.0031 0.0073 0.099
Loa Loa (eye worm) hypothetical protein 0.0035 0.0118 0.0118
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0194 0.1894 0.1894
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.099
Schistosoma mansoni pyruvate kinase 0.0035 0.0118 0.0059
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0031 0.0073 0.0318
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0428 0.4502 0.5741
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0428 0.4502 0.4489
Echinococcus granulosus pyruvate kinase 0.0035 0.0118 0.007
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0073 0.099
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0234 0.2336 0.2931
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Loa Loa (eye worm) nuclear hormone receptor 0.0194 0.1894 0.1894
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Brugia malayi Nuclear hormone receptor E75 0.0194 0.1894 0.1876
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0073 0.099
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0428 0.4502 0.5736
Brugia malayi Muscleblind-like protein 0.0157 0.1474 0.1455
Brugia malayi MH2 domain containing protein 0.0125 0.1123 0.1103
Brugia malayi nuclear receptor RXR 0.0194 0.1894 0.1876
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0234 0.2336 0.2965
Schistosoma mansoni nuclear receptor 0.0194 0.1894 0.2359
Brugia malayi ecdysone receptor 0.0194 0.1894 0.1876
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0428 0.4502 0.4489
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0077 0.0005
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0073 0.099
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0428 0.4502 0.5756
Echinococcus granulosus Nuclear hormone receptor HR96 0.0194 0.1894 0.2367
Loa Loa (eye worm) hypothetical protein 0.0234 0.2336 0.2336
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0226 0.225 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0655 0.7029 0.9011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0428 0.4502 0.4502
Schistosoma mansoni hypothetical protein 0.0178 0.1709 0.2119
Loa Loa (eye worm) hypothetical protein 0.0157 0.1474 0.1474
Echinococcus granulosus nuclear receptor nhr 48 0.0194 0.1894 0.2367
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0428 0.4502 0.4489
Brugia malayi hypothetical protein 0.0194 0.1894 0.1876
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0031 0.0073 0.6126
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0073 0.0048
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0263 0.0241
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0073 0.099
Echinococcus multilocularis thyroid hormone receptor alpha 0.0428 0.4502 0.5756
Echinococcus multilocularis thioredoxin glutathione reductase 0.009 0.0729 0.0893
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0428 0.4502 0.4489
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Echinococcus multilocularis muscleblind protein 0.0157 0.1474 0.1854
Mycobacterium tuberculosis Probable dehydrogenase 0.0204 0.1997 0.8874
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.0118 0.0518
Loa Loa (eye worm) nuclear receptor NHR-67 0.0194 0.1894 0.1894
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0073 0.0716
Loa Loa (eye worm) hypothetical protein 0.0234 0.2336 0.2336
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0263 0.0292
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0263 0.0246
Schistosoma mansoni RAR-like nuclear receptor 0.0428 0.4502 0.5736
Trypanosoma brucei trypanothione reductase 0.0089 0.0723 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0428 0.4502 0.5741
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0428 0.4502 0.4489
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1123 0.1123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0263 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0428 0.4502 0.4489
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0204 0.1997 0.8874
Plasmodium falciparum thioredoxin reductase 0.0089 0.0723 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0194 0.1894 0.2395
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0023 0.0295
Schistosoma mansoni retinoic acid receptor RXR 0.0428 0.4502 0.5736
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0204 0.1997 0.8874
Echinococcus granulosus muscleblind protein 0.0157 0.1474 0.1824
Onchocerca volvulus Protein ultraspiracle homolog 0.0428 0.4502 0.4459
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0073 0.099
Onchocerca volvulus 0.0194 0.1894 0.1831
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0263 0.0257
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0234 0.2336 0.2336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0263 0.0246
Mycobacterium tuberculosis Probable reductase 0.0204 0.1997 0.8874
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Brugia malayi Steroid receptor seven-up type 2 0.0428 0.4502 0.4489
Mycobacterium tuberculosis Probable oxidoreductase 0.0226 0.225 1
Trichomonas vaginalis set domain proteins, putative 0.0248 0.2497 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0089 0.0723 0.3208
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0204 0.1997 0.8874
Schistosoma mansoni nuclear hormone receptor 0.0428 0.4502 0.5736
Leishmania major pyruvate kinase 0.0035 0.0118 0.1616
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0428 0.4502 0.4502
Schistosoma mansoni steroid hormone receptor ad4bp 0.0428 0.4502 0.5736
Echinococcus multilocularis microtubule associated protein 2 0.0724 0.7794 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.0118 0.0106
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0428 0.4502 0.5741
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Schistosoma mansoni nuclear hormone receptor 0.0194 0.1894 0.2359
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0194 0.1894 0.2359
Echinococcus granulosus geminin 0.0178 0.1709 0.2128
Brugia malayi orphan nuclear receptor NR2E1 0.0194 0.1894 0.1876
Brugia malayi steroid hormone receptor 0.0889 0.9637 0.9636
Loa Loa (eye worm) thioredoxin reductase 0.0089 0.0723 0.0723
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0428 0.4502 0.5741
Onchocerca volvulus 0.0194 0.1894 0.1831
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0118 0.0118
Brugia malayi glutathione reductase 0.0089 0.0723 0.0702
Loa Loa (eye worm) hypothetical protein 0.0234 0.2336 0.2336
Loa Loa (eye worm) hypothetical protein 0.0157 0.1474 0.1474
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0428 0.4502 0.4489
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0428 0.4502 0.5741
Brugia malayi tailless protein 0.0194 0.1894 0.1876
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0118 0.1616
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0073 1
Plasmodium falciparum pyruvate kinase 0.0035 0.0118 0.1616
Schistosoma mansoni coup transcription factor 0.0428 0.4502 0.5736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0263 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0428 0.4502 0.4489
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0428 0.4502 0.4489
Plasmodium falciparum thioredoxin reductase 0.0031 0.0073 0.099
Schistosoma mansoni nuclear receptor 0.0194 0.1894 0.2359
Loa Loa (eye worm) hypothetical protein 0.0234 0.2336 0.2336
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0073 0.099
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0031 0.0073 0.6126
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0194 0.1894 0.1894
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0428 0.4502 0.5756
Onchocerca volvulus Bile acid receptor homolog 0.0922 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0226 0.225 1
Treponema pallidum NADH oxidase 0.0031 0.0073 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0194 0.1894 0.1831
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0428 0.4502 0.4489
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0073 0.099
Chlamydia trachomatis pyruvate kinase 0.0035 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Brugia malayi nuclear receptor NHR-67 0.0194 0.1894 0.1876
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0077 0.0005
Brugia malayi Nuclear hormone receptor-like 1 0.0428 0.4502 0.4489
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0077 0.0053
Schistosoma mansoni hypothetical protein 0.0178 0.1709 0.2119
Schistosoma mansoni microtubule-associated protein tau 0.0724 0.7794 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0428 0.4502 0.5741
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0118 0.1616
Loa Loa (eye worm) DR-78 0.0194 0.1894 0.1894
Brugia malayi hypothetical protein 0.0234 0.2336 0.2318
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0428 0.4502 0.5756
Loa Loa (eye worm) glutathione reductase 0.0089 0.0723 0.0723
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0226 0.225 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0194 0.1894 0.2395
Plasmodium vivax glutathione reductase, putative 0.0089 0.0723 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0023 0.0295
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0194 0.1894 0.2395
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0194 0.1894 0.2395
Schistosoma mansoni thyroid hormone receptor 0.0428 0.4502 0.5736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0428 0.4502 0.5736
Onchocerca volvulus 0.0428 0.4502 0.4459
Loa Loa (eye worm) hypothetical protein 0.0031 0.0077 0.0077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0194 0.1894 0.2367
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0118 0.0095
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0194 0.1894 0.1831
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.099
Loa Loa (eye worm) hypothetical protein 0.0428 0.4502 0.4502
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0073 0.005
Brugia malayi nuclear hormone receptor family member odr-7 0.0194 0.1894 0.1876
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0031 0.0073 1
Echinococcus granulosus ecdysone induced protein 78C 0.0428 0.4502 0.5741
Leishmania major hypothetical protein, conserved 0.0026 0.0023 0.0295
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0428 0.4502 0.5736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0073 0.0716
Brugia malayi nuclear receptor NHR-88 0.0194 0.1894 0.1876
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0204 0.1997 0.8874
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0023 0.0295
Loa Loa (eye worm) hypothetical protein 0.0087 0.07 0.07
Schistosoma mansoni zinc finger protein 0.0194 0.1894 0.2359

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.448 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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