Detailed information for compound 1616756

Basic information

Technical information
  • TDR Targets ID: 1616756
  • Name: (2E)-N-(2-methylphenyl)-2-[(3-nitrophenyl)met hylidene]-3-oxobutanamide
  • MW: 324.331 | Formula: C18H16N2O4
  • H donors: 1 H acceptors: 4 LogP: 3.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ccccc1C
  • InChi: 1S/C18H16N2O4/c1-12-6-3-4-9-17(12)19-18(22)16(13(2)21)11-14-7-5-8-15(10-14)20(23)24/h3-11H,1-2H3,(H,19,22)/b16-11+
  • InChiKey: CKILEGYCDSBNPL-LFIBNONCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methylphenyl)-2-[(3-nitrophenyl)methylidene]-3-oxobutanamide
  • (2E)-N-(2-methylphenyl)-2-[(3-nitrophenyl)methylene]-3-oxo-butanamide
  • N-(2-methylphenyl)-2-[(3-nitrophenyl)methylene]-3-oxo-butanamide
  • (2E)-N-(2-methylphenyl)-2-[(3-nitrophenyl)methylene]-3-oxobutanamide
  • N-(2-methylphenyl)-2-[(3-nitrophenyl)methylene]-3-oxobutanamide
  • (E)-2-acetyl-N-(2-methylphenyl)-3-(3-nitrophenyl)acrylamide
  • 2-acetyl-N-(2-methylphenyl)-3-(3-nitrophenyl)acrylamide
  • N-(2-methylphenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-butanamide
  • (2E)-N-(2-methylphenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-butanamide
  • NSC634658
  • NCIMech_000392
  • NCI60_011564
  • 2-Acetyl-3-(3-(hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)acrylamide
  • AIDS-135262
  • AIDS135262

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
Schistosoma mansoni nuclear receptor 0.0086 0.2251 0.208
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.035 0.0571
Brugia malayi nuclear hormone receptor 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni hypothetical protein 0.0047 0.0857 0.0655
Brugia malayi nuclear receptor NHR-88 0.0182 0.5697 1
Mycobacterium tuberculosis Probable reductase 0.0217 0.6918 0.889
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0182 0.5697 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.035 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.2811 0.4933
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.035 0.1364
Brugia malayi orphan nuclear receptor NR2E1 0.0086 0.2251 0.3951
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0624 0.0745
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0086 0.2251 0.3713
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0096 0.262 0.4386
Echinococcus granulosus Nuclear hormone receptor HR96 0.0086 0.2251 0.3713
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni hypothetical protein 0.0047 0.0857 0.0655
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0428 1
Plasmodium vivax glutathione reductase, putative 0.0095 0.2569 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0182 0.5697 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0428 0.0551
Schistosoma mansoni coup transcription factor 0.0182 0.5697 0.5602
Plasmodium falciparum thioredoxin reductase 0.0033 0.035 0.0571
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0182 0.5697 0.5602
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0086 0.2251 0.208
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0182 0.5697 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.6918 0.889
Schistosoma mansoni jumonji domain containing protein 0.0076 0.1885 0.1706
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0624 0.0745
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0182 0.5697 1
Loa Loa (eye worm) nuclear hormone receptor 0.0086 0.2251 0.3951
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0428 0.0217
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0182 0.5697 1
Onchocerca volvulus 0.0035 0.0428 0.0752
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.3478 0.6105
Mycobacterium ulcerans lipase LipD 0.0035 0.0428 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0241 0.7782 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0182 0.5697 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.262 0.4599
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.4494 0.7888
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0435 0.0224
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0182 0.5697 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.035 0.0571
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.2569 0.4508
Loa Loa (eye worm) steroid hormone receptor 0.0182 0.5697 1
Brugia malayi ecdysone receptor 0.0086 0.2251 0.3951
Echinococcus granulosus FTZ F1 alpha 0.0182 0.5697 1
Brugia malayi jmjC domain containing protein 0.0035 0.0435 0.0764
Schistosoma mansoni nuclear receptor 0.0086 0.2251 0.208
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.035 0.8177
Brugia malayi photoreceptor-specific nuclear receptor 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Brugia malayi nuclear hormone receptor 0.0086 0.2251 0.3951
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0857 0.1505
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.4494 0.7888
Loa Loa (eye worm) hypothetical protein 0.0096 0.262 0.4599
Loa Loa (eye worm) nuclear receptor NHR-67 0.0086 0.2251 0.3951
Echinococcus multilocularis ecdysone induced protein 78C 0.0182 0.5697 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0428 0.0352
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0096 0.262 0.4599
Brugia malayi Bromodomain containing protein 0.0029 0.0216 0.0379
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0182 0.5697 0.5602
Brugia malayi ecdysteroid receptor 0.0182 0.5697 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0857 0.1505
Onchocerca volvulus Bile acid receptor homolog 0.0182 0.5697 1
Onchocerca volvulus 0.0035 0.0428 0.0752
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.6918 0.889
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Brugia malayi hypothetical protein 0.0071 0.1716 0.3012
Entamoeba histolytica hypothetical protein 0.0071 0.1716 1
Schistosoma mansoni RAR-like nuclear receptor 0.0182 0.5697 0.5602
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.6918 0.889
Schistosoma mansoni nuclear hormone receptor 0.0086 0.2251 0.208
Loa Loa (eye worm) hypothetical protein 0.005 0.096 0.1686
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0182 0.5697 0.5602
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0182 0.5697 1
Brugia malayi tailless protein 0.0086 0.2251 0.3951
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0435 0.04
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni nuclear receptor nhr-48 0.0086 0.2251 0.208
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0428 0.0752
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.035 0.0571
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0096 0.262 0.2457
Leishmania major trypanothione reductase 0.0095 0.2569 1
Schistosoma mansoni hypothetical protein 0.0102 0.2811 0.2652
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Loa Loa (eye worm) glutathione reductase 0.0095 0.2569 0.4508
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0182 0.5697 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.035 0.045
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0182 0.5697 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0182 0.5697 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0086 0.2251 0.3713
Treponema pallidum NADH oxidase 0.0033 0.035 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.035 0.0245
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0182 0.5697 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0428 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.2569 0.3301
Mycobacterium ulcerans hypothetical protein 0.0035 0.0428 1
Brugia malayi Steroid receptor seven-up type 2 0.0182 0.5697 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0182 0.5697 0.5602
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.2587 0.4325
Onchocerca volvulus 0.0086 0.2251 0.3951
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0241 0.7782 1
Brugia malayi conserved hypotetical protein 0.0086 0.2251 0.3951
Brugia malayi Nuclear hormone receptor E75 0.0086 0.2251 0.3951
Brugia malayi steroid hormone receptor 0.0182 0.5697 1
Brugia malayi nuclear receptor NHR-88 0.0086 0.2251 0.3951
Loa Loa (eye worm) hypothetical protein 0.0096 0.262 0.4599
Schistosoma mansoni zinc finger protein 0.0086 0.2251 0.208
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.035 1
Schistosoma mansoni nuclear hormone receptor 0.0086 0.2251 0.208
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.2251 0.3713
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1716 0.1533
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0182 0.5697 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0086 0.2251 0.3951
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.2587 0.4325
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0428 0.0388
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0182 0.5697 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1716 0.2737
Echinococcus granulosus nuclear receptor nhr 48 0.0086 0.2251 0.3713
Mycobacterium tuberculosis Conserved protein 0.0035 0.0428 0.0551
Trichomonas vaginalis esterase, putative 0.0035 0.0428 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0182 0.5697 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0216 0.0379
Onchocerca volvulus Protein ultraspiracle homolog 0.0182 0.5697 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0086 0.2251 0.3951
Brugia malayi nuclear receptor NHR-67 0.0086 0.2251 0.3951
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0435 0.0764
Brugia malayi glutathione reductase 0.0095 0.2569 0.4508
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.035 0.0245
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0428 0.0551
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1325 0.2326
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0182 0.5697 1
Brugia malayi PHD-finger family protein 0.0029 0.0216 0.0379
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0182 0.5697 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0086 0.2251 0.3713
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.2569 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.262 0.4599
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0182 0.5697 0.5602
Mycobacterium leprae Probable lipase LipE 0.0035 0.0428 0.0551
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0241 0.7782 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0428 0.0217
Echinococcus granulosus GPCR family 2 0.0047 0.0857 0.117
Trypanosoma brucei trypanothione reductase 0.0095 0.2569 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0216 0.0379
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.035 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0086 0.2251 0.3951
Brugia malayi hypothetical protein 0.0096 0.262 0.4599
Schistosoma mansoni hypothetical protein 0.0071 0.1716 0.1533
Brugia malayi MH2 domain containing protein 0.012 0.3478 0.6105
Schistosoma mansoni hypothetical protein 0.0047 0.0857 0.0655
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0428 0.0551
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0241 0.7782 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0182 0.5697 1
Schistosoma mansoni thyroid hormone receptor 0.0182 0.5697 0.5602
Schistosoma mansoni thyroid hormone receptor 0.0182 0.5697 0.5602
Mycobacterium tuberculosis Conserved protein 0.0035 0.0428 0.0551
Entamoeba histolytica hypothetical protein 0.0071 0.1716 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0857 0.117
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0182 0.5697 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0182 0.5697 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.035 0.0137
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0428 1
Brugia malayi beta-lactamase family protein 0.0035 0.0428 0.0752
Schistosoma mansoni retinoic acid receptor RXR 0.0182 0.5697 0.5602
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0428 0.0551
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0038 0.0067
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Echinococcus multilocularis GPCR, family 2 0.0047 0.0857 0.117
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0086 0.2251 0.3713
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.262 0.4599
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0182 0.5697 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0216 0.0379
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.2569 0.4292
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.6918 0.889
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0182 0.5697 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.035 0.0571
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.035 0.1364
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0428 0.0388
Toxoplasma gondii ABC1 family protein 0.0035 0.0428 0.0903
Brugia malayi Nuclear hormone receptor-like 1 0.0182 0.5697 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0428 0.0352
Echinococcus granulosus ecdysone induced protein 78C 0.0182 0.5697 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0096 0.262 0.2457
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0182 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.035 0.0615
Entamoeba histolytica hypothetical protein 0.0071 0.1716 1
Plasmodium falciparum glutathione reductase 0.0033 0.035 0.0571
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0857 0.117
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.2251 0.3713
Echinococcus multilocularis nuclear receptor nhr 48 0.0086 0.2251 0.3713
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.2811 0.4933
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.6918 0.889
Loa Loa (eye worm) hypothetical protein 0.0149 0.4494 0.7888
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.035 0.0571
Loa Loa (eye worm) hypothetical protein 0.0035 0.0428 0.0752
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.2569 1
Onchocerca volvulus 0.0035 0.0428 0.0752
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.262 0.4599
Loa Loa (eye worm) hypothetical protein 0.0086 0.2251 0.3951
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0428 1
Brugia malayi nuclear receptor RXR 0.0096 0.262 0.4599
Plasmodium falciparum glutathione reductase 0.0095 0.2569 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0182 0.5697 1
Brugia malayi nuclear receptor RXR 0.0086 0.2251 0.3951
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0182 0.5697 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.035 0.0571
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0182 0.5697 0.5602
Plasmodium falciparum thioredoxin reductase 0.0095 0.2569 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0428 0.0551
Echinococcus multilocularis FTZ F1 alpha 0.0182 0.5697 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.4494 0.7888
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0428 0.0903
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0086 0.2251 0.3713
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0096 0.262 0.4386
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0428 0.0551
Loa Loa (eye worm) hypothetical protein 0.0047 0.0857 0.1505
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0182 0.5697 1
Schistosoma mansoni nuclear hormone receptor 0.0182 0.5697 0.5602
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1716 0.2737
Entamoeba histolytica hypothetical protein 0.0071 0.1716 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.035 0.1364
Brugia malayi beta-lactamase family protein 0.0035 0.0428 0.0752
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0086 0.2251 0.3951
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0428 0.0551
Echinococcus granulosus Nuclear hormone receptor HR96 0.0086 0.2251 0.3713
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0086 0.2251 0.3951
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0182 0.5697 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0428 0.0752
Mycobacterium tuberculosis Conserved protein 0.0035 0.0428 0.0551
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0857 0.1505
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.7189 0.9238
Brugia malayi hypothetical protein 0.0086 0.2251 0.3951
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0857 0.117
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0182 0.5697 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0217 0.6918 0.889
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0182 0.5697 1
Brugia malayi Nuclear hormone receptor E75 0.0086 0.2251 0.3951
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0435 0.0224
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0038 0.0067
Brugia malayi hypothetical protein 0.0096 0.262 0.4599
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0182 0.5697 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0182 0.5697 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.035 0.8177
Brugia malayi nuclear hormone receptor family member odr-7 0.0086 0.2251 0.3951
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.035 0.8177
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0182 0.5697 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.035 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.262 0.4599
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0428 0.0352
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.3478 0.6105
Onchocerca volvulus 0.0182 0.5697 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0857 0.117
Onchocerca volvulus 0.0086 0.2251 0.3951
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0086 0.2251 0.3713
Loa Loa (eye worm) beta-lactamase 0.0035 0.0428 0.0752
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.2569 0.4292
Loa Loa (eye worm) DR-78 0.0086 0.2251 0.3951
Schistosoma mansoni hypothetical protein 0.0047 0.0857 0.0655
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0435 0.04
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.035 0.1364
Brugia malayi hypothetical protein 0.0086 0.2251 0.3951
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0182 0.5697 0.5602
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0086 0.2251 0.208
Brugia malayi beta-lactamase 0.0035 0.0428 0.0752
Loa Loa (eye worm) hypothetical protein 0.0182 0.5697 1
Leishmania major hypothetical protein, conserved 0.0035 0.0428 0.1668
Toxoplasma gondii thioredoxin reductase 0.0095 0.2569 1
Brugia malayi jmjC domain containing protein 0.0095 0.2587 0.454
Brugia malayi Thioredoxin reductase 0.0095 0.2569 0.4508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0182 0.5697 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0428 0.0551

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.694 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 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 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 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 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 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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