Detailed information for compound 1635647

Basic information

Technical information
  • TDR Targets ID: 1635647
  • Name: N-hydroxy-4-[3-[[4-methyl-1-oxo-1-(phenylamin o)pentan-2-yl]amino]-3-oxo-2-(phenylmethyl)pr opyl]sulfanylbenzeneamine oxide
  • MW: 505.628 | Formula: C28H31N3O4S
  • H donors: 2 H acceptors: 4 LogP: 6.13 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CC(C(=O)Nc1ccccc1)NC(=O)C(Cc1ccccc1)CSc1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C28H31N3O4S/c1-20(2)17-26(28(33)29-23-11-7-4-8-12-23)30-27(32)22(18-21-9-5-3-6-10-21)19-36-25-15-13-24(14-16-25)31(34)35/h3-16,20,22,26H,17-19H2,1-2H3,(H,29,33)(H,30,32)
  • InChiKey: GOCMQBVTHPTLRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-2-[[2-[(4-nitrophenyl)sulfanylmethyl]-3-phenylpropanoyl]amino]-N-phenylpentanamide
  • 2-[[2-[[4-(hydroxy-oxidoamino)phenyl]sulfanylmethyl]-3-phenylpropanoyl]amino]-4-methyl-N-phenylpentanamide
  • N-hydroxy-4-[3-[[3-methyl-1-(phenylcarbamoyl)butyl]amino]-3-oxo-2-(phenylmethyl)propyl]sulfanyl-benzeneamine oxide
  • 4-methyl-2-[[2-[(4-nitrophenyl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-N-phenyl-pentanamide
  • 2-[[2-[[4-(hydroxy-oxido-amino)phenyl]sulfanylmethyl]-3-phenyl-propanoyl]amino]-4-methyl-N-phenyl-pentanamide
  • 2-[[2-[[[4-(hydroxy-oxidoamino)phenyl]thio]methyl]-1-oxo-3-phenylpropyl]amino]-4-methyl-N-phenylpentanamide
  • 4-methyl-2-[[2-[[(4-nitrophenyl)thio]methyl]-1-oxo-3-phenylpropyl]amino]-N-phenylpentanamide
  • N-hydroxy-4-[[3-[[3-methyl-1-[oxo-(phenylamino)methyl]butyl]amino]-3-oxo-2-(phenylmethyl)propyl]thio]benzeneamine oxide
  • 2-[[2-(benzyl)-3-[[4-(hydroxy-oxido-amino)phenyl]thio]propanoyl]amino]-4-methyl-N-phenyl-valeramide
  • 4-[[2-(benzyl)-3-keto-3-[[3-methyl-1-(phenylcarbamoyl)butyl]amino]propyl]thio]-N-hydroxy-benzeneamine oxide
  • 2-[[2-(benzyl)-3-[(4-nitrophenyl)thio]propanoyl]amino]-4-methyl-N-phenyl-valeramide
  • N-hydroxy-4-[3-[[4-methyl-1-oxo-1-(phenylamino)pentan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl]sulfanyl-benzeneamine oxide
  • NCI60_031510
  • 2-((2-Benzyl-3-((4-(hydroxy(oxido)amino)phenyl)thio)propanoyl)amino)-4-methyl-N-phenylpentanamide
  • AIDS-150408
  • AIDS150408
  • NSC687540

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
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.2214 1
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.2214 1
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.2214 0.2214
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.2261 0.2261
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Plasmodium falciparum glutathione reductase 0.0095 0.2214 1
Schistosoma mansoni nuclear receptor 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0326 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0118 0.5
Brugia malayi Thioredoxin reductase 0.0095 0.2214 0.2214
Leishmania major trypanothione reductase 0.0095 0.2214 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.4059 0.4059
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0326 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0326 1 1
Brugia malayi hypothetical protein 0.0172 0.4814 0.4814
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0154 0.4192 0.4192
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0605 0.0605
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.6323 0.8837
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0118 0.0531
Entamoeba histolytica hypothetical protein 0.0072 0.1439 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0605 0.0605
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3034 0.3034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Schistosoma mansoni jumonji domain containing protein 0.0077 0.1592 0.1592
Schistosoma mansoni RAR-like nuclear receptor 0.0326 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0326 1 1
Schistosoma mansoni nuclear hormone receptor 0.0326 1 1
Brugia malayi conserved hypotetical protein 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi tailless protein 0.0154 0.4192 0.4192
Brugia malayi Nuclear hormone receptor E75 0.0154 0.4192 0.4192
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.4814 0.4814
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0326 1 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0217 0.6323 0.8727
Brugia malayi nuclear hormone receptor 0.0326 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0154 0.4192 0.4192
Plasmodium vivax glutathione reductase, putative 0.0095 0.2214 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0154 0.4192 0.4192
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0172 0.4814 0.4814
Echinococcus granulosus Nuclear hormone receptor HR96 0.0154 0.4192 0.4192
Echinococcus granulosus FTZ F1 alpha 0.0326 1 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.1629 0.7358
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.2461 0.2461
Brugia malayi orphan nuclear receptor NR2E1 0.0154 0.4192 0.4192
Brugia malayi Steroid receptor seven-up type 2 0.0326 1 1
Schistosoma mansoni coup transcription factor 0.0326 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.6323 0.8837
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.1629 0.1629
Schistosoma mansoni hypothetical protein 0.0102 0.2461 0.2461
Echinococcus granulosus thyroid hormone receptor alpha 0.0154 0.4192 0.4192
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0118 0.0531
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1629 0.7358
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0326 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0326 1 1
Brugia malayi MH2 domain containing protein 0.0119 0.3034 0.3034
Schistosoma mansoni hypothetical protein 0.0047 0.0605 0.0605
Entamoeba histolytica hypothetical protein 0.0072 0.1439 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0326 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0326 1 1
Echinococcus multilocularis GPCR, family 2 0.0047 0.0605 0.0605
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Schistosoma mansoni zinc finger protein 0.0154 0.4192 0.4192
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0326 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0605 0.0605
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0241 0.7139 1
Brugia malayi nuclear receptor RXR 0.0172 0.4814 0.4814
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0118 0.0118
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.1629 0.1629
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Plasmodium falciparum glutathione reductase 0.0033 0.0118 0.0531
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi nuclear hormone receptor family member nhr-6 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi nuclear receptor NHR-88 0.0154 0.4192 0.4192
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0209 0.0209
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 0.7358
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0118 0.0118
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0326 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0326 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0326 1 1
Brugia malayi hypothetical protein 0.0072 0.1439 0.1439
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0154 0.4192 0.4192
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0118 0.0118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0326 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.1629 0.7358
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.2214 0.2214
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Brugia malayi Nuclear hormone receptor E75 0.0154 0.4192 0.4192
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0326 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3034 0.3034
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0154 0.4192 0.4192
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0605 0.0605
Loa Loa (eye worm) nuclear receptor NHR-67 0.0154 0.4192 0.4192
Echinococcus granulosus GPCR family 2 0.0047 0.0605 0.0605
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0118 0.0531
Schistosoma mansoni nuclear receptor nhr-48 0.0154 0.4192 0.4192
Toxoplasma gondii thioredoxin reductase 0.0095 0.2214 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0154 0.4192 0.4192
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0241 0.7139 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0326 1 1
Brugia malayi nuclear receptor NHR-88 0.0326 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0725 0.0725
Schistosoma mansoni nuclear hormone receptor 0.0154 0.4192 0.4192
Brugia malayi nuclear receptor NHR-67 0.0154 0.4192 0.4192
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0118 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0154 0.4192 0.4192
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0326 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Brugia malayi glutathione reductase 0.0095 0.2214 0.2214
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0209 0.0209
Onchocerca volvulus 0.0154 0.4192 0.4192
Brugia malayi Nuclear hormone receptor-like 1 0.0172 0.4814 0.4814
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0241 0.7139 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0605 0.0605
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.2214 0.2214
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0326 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0154 0.4192 0.4192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.4059 0.4059
Brugia malayi ecdysone receptor 0.0154 0.4192 0.4192
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0326 1 1
Entamoeba histolytica hypothetical protein 0.0072 0.1439 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0154 0.4192 0.4192
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0172 0.4814 0.4814
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0326 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0326 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0241 0.7139 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.1629 0.1629
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0725 0.0865
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0326 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0326 1 1
Schistosoma mansoni thyroid hormone receptor 0.0326 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0326 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0209 0.0209
Schistosoma mansoni thyroid hormone receptor 0.0326 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.2261 0.2261
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.1058 0.1058
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0326 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0725 0.0725
Schistosoma mansoni hypothetical protein 0.0047 0.0605 0.0605
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0326 1 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.015 0.4059 0.4059
Brugia malayi nuclear hormone receptor family member odr-7 0.0154 0.4192 0.4192
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.1629 1
Brugia malayi steroid hormone receptor 0.0326 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0154 0.4192 0.4192
Echinococcus granulosus Nuclear hormone receptor HR96 0.0154 0.4192 0.4192
Schistosoma mansoni hypothetical protein 0.0072 0.1439 0.1439
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0118 0.0531
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.1629 0.1409
Schistosoma mansoni nuclear receptor 0.0154 0.4192 0.4192
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0326 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0326 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.6323 0.8837
Brugia malayi Nuclear hormone receptor-like 1 0.0172 0.4814 0.4814
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.2214 0.2985
Brugia malayi Nuclear hormone receptor-like 1 0.0326 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0725 0.0865
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0118 0.0531
Schistosoma mansoni steroid hormone receptor ad4bp 0.0326 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0326 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0326 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.2461 0.2461
Brugia malayi hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi hypothetical protein 0.0172 0.4814 0.4814
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.1439 0.1439
Echinococcus multilocularis FTZ F1 alpha 0.0326 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.1439 0.1439
Echinococcus multilocularis ecdysone induced protein 78C 0.0326 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0326 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0605 0.0605
Schistosoma mansoni hypothetical protein 0.0047 0.0605 0.0605
Schistosoma mansoni retinoic acid receptor RXR 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.4814 0.4814
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.6323 0.8837
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Brugia malayi hypothetical protein 0.0154 0.4192 0.4192
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0118 0.0118
Plasmodium falciparum thioredoxin reductase 0.0095 0.2214 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0326 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0326 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.0172 0.4814 0.4814
Schistosoma mansoni nuclear hormone receptor 0.0154 0.4192 0.4192
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0605 0.0605
Loa Loa (eye worm) hypothetical protein 0.0154 0.4192 0.4192
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.6323 0.8837
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0154 0.4192 0.4192
Brugia malayi nuclear receptor RXR 0.0154 0.4192 0.4192
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0154 0.4192 0.4192
Loa Loa (eye worm) hypothetical protein 0.005 0.071 0.071
Loa Loa (eye worm) nuclear hormone receptor 0.0154 0.4192 0.4192
Trypanosoma brucei trypanothione reductase 0.0095 0.2214 1
Loa Loa (eye worm) glutathione reductase 0.0095 0.2214 0.2214
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0172 0.4814 0.4814
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0326 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0118 0.0531
Loa Loa (eye worm) DR-78 0.0154 0.4192 0.4192
Brugia malayi jmjC domain containing protein 0.0096 0.2261 0.2261
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0326 1 1
Entamoeba histolytica hypothetical protein 0.0072 0.1439 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0326 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.4059 0.4059
Brugia malayi nuclear hormone receptor 0.0154 0.4192 0.4192
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0154 0.4192 0.4192
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0326 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0172 0.4814 0.4814
Loa Loa (eye worm) hypothetical protein 0.0078 0.1629 0.1629
Onchocerca volvulus 0.0154 0.4192 0.4192
Brugia malayi Probable ClpP-like protease 0.0078 0.1629 0.1629
Onchocerca volvulus 0.0326 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0326 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0389 0.0389
Plasmodium falciparum thioredoxin reductase 0.0033 0.0118 0.0531
Loa Loa (eye worm) hypothetical protein 0.0172 0.4814 0.4814
Loa Loa (eye worm) hypothetical protein 0.0326 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0326 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0605 0.0605
Mycobacterium tuberculosis Probable reductase 0.0217 0.6323 0.8837
Loa Loa (eye worm) hypothetical protein 0.0172 0.4814 0.4814
Echinococcus granulosus nuclear receptor nhr 48 0.0154 0.4192 0.4192
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0172 0.4814 0.4814
Brugia malayi jmjC domain containing protein 0.0036 0.0209 0.0209
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0326 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0326 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0605 0.0605
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0326 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.569 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
GI50 (functional) -4.388 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) -4.366 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) -4.32 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) -4.192 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) -4.093 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) -4.049 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate 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 MDA-N Breast 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 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 HOP-92 Non-Small Cell Lung 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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