Detailed information for compound 1253698

Basic information

Technical information
  • TDR Targets ID: 1253698
  • Name: 4-chloro-N-[1,1,1,3,3,3-hexafluoro-2-[2-(4-ni trophenyl)hydrazinyl]propan-2-yl]benzamide
  • MW: 456.727 | Formula: C16H11ClF6N4O3
  • H donors: 3 H acceptors: 3 LogP: 5.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H11ClF6N4O3/c17-10-3-1-9(2-4-10)13(28)24-14(15(18,19)20,16(21,22)23)26-25-11-5-7-12(8-6-11)27(29)30/h1-8,25-26H,(H,24,28)
  • InChiKey: BSSWXQFZJMDZJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[2,2,2-trifluoro-1-[N'-(4-nitrophenyl)hydrazino]-1-(trifluoromethyl)ethyl]benzamide
  • AG-389/15453053
  • 4-chloro-N-[2,2,2-trifluoro-1-(2-{4-nitrophenyl}hydrazino)-1-(trifluoromethyl)ethyl]benzamide
  • MLS000545961
  • SMR000163425

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0114 0.1661
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Schistosoma mansoni RAR-like nuclear receptor 0.0119 0.0515 0.0515
Schistosoma mansoni nuclear hormone receptor 0.0119 0.0515 0.0515
Brugia malayi Nuclear hormone receptor-like 1 0.0119 0.0515 0.7482
Mycobacterium tuberculosis Probable reductase 0.013 0.0594 0.3704
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Brugia malayi hypothetical protein 0.0063 0.0132 0.1916
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0056 0.0086 0.1668
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.0086 0.009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.0515 0.7482
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.0515 0.0538
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0119 0.0515 0.0538
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0063 0.0132 0.0138
Echinococcus multilocularis nuclear receptor nhr 48 0.0056 0.0086 0.009
Loa Loa (eye worm) hypothetical protein 0.006 0.0114 0.1661
Brugia malayi Nuclear hormone receptor E75 0.0056 0.0086 0.1248
Mycobacterium ulcerans beta-lactamase 0.0043 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0119 0.0515 0.0515
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0119 0.0515 0.0515
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0056 0.0086 0.0086
Plasmodium vivax glutathione reductase, putative 0.0057 0.0093 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0063 0.0132 0.0132
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0093 0.0581
Schistosoma mansoni lipoxygenase 0.0142 0.0677 0.0677
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0057 0.0093 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.1505 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0114 0.1661
Schistosoma mansoni thyroid hormone receptor 0.0119 0.0515 0.0515
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0677 0.0677
Trypanosoma brucei trypanothione reductase 0.0057 0.0093 1
Brugia malayi glutathione reductase 0.0057 0.0093 0.1353
Echinococcus granulosus thyroid hormone receptor alpha 0.0056 0.0086 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0063 0.0132 0.1916
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0063 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Mycobacterium ulcerans lipase LipD 0.0043 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0693 1
Schistosoma mansoni nuclear hormone receptor 0.0056 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0119 0.0515 0.7482
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.0086 0.009
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0119 0.0515 0.7482
Echinococcus multilocularis FTZ F1 alpha 0.0119 0.0515 0.0538
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.3522 0.368
Trichomonas vaginalis esterase, putative 0.0043 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0594 0.3704
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0594 0.3704
Echinococcus granulosus nuclear receptor nhr 48 0.0056 0.0086 0.0086
Echinococcus granulosus geminin 0.0205 0.1102 0.1102
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0594 0.3704
Mycobacterium ulcerans hypothetical protein 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.0515 0.7482
Brugia malayi hypothetical protein 0.0056 0.0086 0.1248
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0132 0.1916
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0 0.5
Brugia malayi hypothetical protein 0.0056 0.0086 0.1248
Brugia malayi orphan nuclear receptor NR2E1 0.0056 0.0086 0.1248
Schistosoma mansoni coup transcription factor 0.0119 0.0515 0.0515
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0063 0.0132 0.1916
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.0515 0.7482
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0119 0.0515 0.7482
Brugia malayi nuclear receptor RXR 0.0056 0.0086 0.1248
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0119 0.0515 0.7482
Echinococcus multilocularis ecdysone induced protein 78C 0.0119 0.0515 0.0538
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0119 0.0515 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0093 1
Echinococcus granulosus ecdysone induced protein 78C 0.0119 0.0515 0.0515
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0093 0.1353
Toxoplasma gondii thioredoxin reductase 0.0057 0.0093 1
Loa Loa (eye worm) DR-78 0.0056 0.0086 0.1248
Brugia malayi Thioredoxin reductase 0.0057 0.0093 0.1353
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0119 0.0515 0.0515
Brugia malayi hypothetical protein 0.0063 0.0132 0.1916
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0693 0.4324
Brugia malayi tailless protein 0.0056 0.0086 0.1248
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0119 0.0515 0.0538
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0119 0.0515 0.0515
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0093 0.0097
Schistosoma mansoni thyroid hormone receptor 0.0119 0.0515 0.0515
Brugia malayi MH2 domain containing protein 0.0144 0.0689 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.3522 0.3522
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Onchocerca volvulus Bile acid receptor homolog 0.0119 0.0515 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0132 0.1916
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.3522 0.3522
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0093 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.0086 0.0086
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0119 0.0515 0.0515
Brugia malayi nuclear hormone receptor 0.0056 0.0086 0.1248
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.0086 0.0086
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0119 0.0515 0.0538
Loa Loa (eye worm) nuclear receptor NHR-67 0.0056 0.0086 0.1248
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.0515 0.0538
Schistosoma mansoni nuclear hormone receptor 0.0056 0.0086 0.0086
Brugia malayi nuclear hormone receptor family member nhr-6 0.0056 0.0086 0.1248
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0689 1
Brugia malayi nuclear receptor NHR-67 0.0056 0.0086 0.1248
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0119 0.0515 0.0538
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.3522 0.368
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Echinococcus multilocularis geminin 0.0205 0.1102 0.1152
Echinococcus granulosus FTZ F1 alpha 0.0119 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0119 0.0515 0.7482
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0119 0.0515 0.7482
Schistosoma mansoni lipoxygenase 0.01 0.0384 0.0384
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0119 0.0515 0.7482
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.0515 0.0515
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0 0.5
Onchocerca volvulus 0.0056 0.0086 0.1668
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0119 0.0515 0.0515
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0056 0.0086 0.0086
Loa Loa (eye worm) glutathione reductase 0.0057 0.0093 0.1353
Schistosoma mansoni nuclear receptor 0.0056 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0205 0.1102 0.1102
Onchocerca volvulus Protein ultraspiracle homolog 0.0119 0.0515 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0063 0.0132 0.1916
Brugia malayi nuclear receptor NHR-88 0.0056 0.0086 0.1248
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0056 0.0086 0.1248
Schistosoma mansoni steroid hormone receptor ad4bp 0.0119 0.0515 0.0515
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0063 0.0132 0.1916
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Leishmania major trypanothione reductase 0.0057 0.0093 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0132 0.1916
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0119 0.0515 0.7482
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0056 0.0086 0.1668
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0056 0.0086 0.009
Onchocerca volvulus 0.0119 0.0515 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.0132 0.0132
Schistosoma mansoni nuclear receptor nhr-48 0.0056 0.0086 0.0086
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0056 0.0086 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0 0.5
Brugia malayi ecdysteroid receptor 0.0119 0.0515 0.7482
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0119 0.0515 0.0515
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.0086 0.009
Plasmodium falciparum glutathione reductase 0.0057 0.0093 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0119 0.0515 0.0515
Brugia malayi Steroid receptor seven-up type 2 0.0119 0.0515 0.7482
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0119 0.0515 0.0515
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1443 0.9571 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0056 0.0086 0.1248
Brugia malayi Nuclear hormone receptor E75 0.0056 0.0086 0.1248
Brugia malayi nuclear hormone receptor 0.0119 0.0515 0.7482
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1603 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0677 0.0707
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0689 1
Brugia malayi conserved hypotetical protein 0.0056 0.0086 0.1248
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.0515 0.7482
Brugia malayi photoreceptor-specific nuclear receptor 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0056 0.0086 0.1248
Loa Loa (eye worm) steroid hormone receptor 0.0119 0.0515 0.7482
Onchocerca volvulus 0.0056 0.0086 0.1668
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0693 0.4324
Loa Loa (eye worm) nuclear hormone receptor 0.0056 0.0086 0.1248
Brugia malayi nuclear receptor RXR 0.0063 0.0132 0.1916
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0119 0.0515 0.7482
Schistosoma mansoni nuclear receptor 0.0056 0.0086 0.0086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0114 0.1661
Loa Loa (eye worm) hypothetical protein 0.0119 0.0515 0.7482
Brugia malayi ecdysone receptor 0.0056 0.0086 0.1248
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0594 0.3704
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0594 0.8565
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.0515 0.7482
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0119 0.0515 0.0515
Echinococcus multilocularis thyroid hormone receptor alpha 0.0119 0.0515 0.0538
Schistosoma mansoni hypothetical protein 0.0205 0.1102 0.1102
Brugia malayi steroid hormone receptor 0.0119 0.0515 0.7482
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0132 0.1916
Brugia malayi nuclear receptor NHR-88 0.0119 0.0515 0.7482
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0093 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0594 0.3704
Schistosoma mansoni zinc finger protein 0.0056 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0056 0.0086 0.1248
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0693 0.4324

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0026 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.1962 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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