Detailed information for compound 1349567

Basic information

Technical information
  • TDR Targets ID: 1349567
  • Name: 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-y l]-1,2,5-oxadiazol-3-amine
  • MW: 309.298 | Formula: C16H12FN5O
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cn1c(nc2c1cccc2)c1nonc1N
  • InChi: 1S/C16H12FN5O/c17-11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
  • InChiKey: VZSANIPPAPURMC-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
  • [4-[1-(4-fluorobenzyl)benzimidazol-2-yl]furazan-3-yl]amine
  • Oprea1_117473
  • SMR000010016
  • BIM-0049309.P001
  • Oprea1_127579
  • ZINC00266483
  • BAS 01115912
  • CBMicro_049571
  • ZERO/005098
  • 4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamine
  • MLS000031634

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0286 0.3171 0.3144
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.046 0.046
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0079 0.0707 1
Onchocerca volvulus 0.0365 0.4117 1
Mycobacterium ulcerans hypothetical protein 0.0079 0.0707 0.204
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0297 0.3312 0.3243
Schistosoma mansoni glutamate synthase 0.0079 0.0707 0.0436
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0858 1 1
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0079 0.0707 0.0611
Treponema pallidum NADH oxidase 0.0297 0.3312 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0079 0.0707 0.0586
Echinococcus granulosus thioredoxin glutathione reductase 0.0858 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3286
Loa Loa (eye worm) hypothetical protein 0.0079 0.0707 0.067
Brugia malayi hypothetical protein 0.0043 0.0284 0.0284
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0079 0.0707 0.0611
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0079 0.0707 0.0611
Echinococcus multilocularis thioredoxin glutathione reductase 0.0858 1 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.046 0.0182
Leishmania major trypanothione reductase 0.0858 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.7729 0.7662
Entamoeba histolytica disulphide oxidoreductase, putative 0.0079 0.0707 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0079 0.0707 0.0611
Plasmodium vivax thioredoxin reductase, putative 0.0858 1 1
Mycobacterium ulcerans monoxygenase 0.0079 0.0707 0.204
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0079 0.0707 0.0611
Brugia malayi hypothetical protein 0.0286 0.3171 0.3171
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0079 0.0707 0.067
Onchocerca volvulus 0.01 0.0963 0.2265
Toxoplasma gondii NADPH-glutathione reductase 0.0297 0.3312 0.3243
Brugia malayi hypothetical protein 0.003 0.0129 0.0129
Mycobacterium tuberculosis Probable reductase 0.0079 0.0707 0.067
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0079 0.0707 1
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0079 0.0707 0.204
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0079 0.0707 0.0436
Schistosoma mansoni hypothetical protein 0.0058 0.046 0.0182
Loa Loa (eye worm) hypothetical protein 0.0365 0.4117 0.4094
Schistosoma mansoni sulfide quinone reductase 0.0079 0.0707 0.0436
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0298 0.0608
Plasmodium vivax ferrodoxin reductase, putative 0.0079 0.0707 0.0611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0294 0.001
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0079 0.0707 0.0586
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0297 0.3312 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0294 0.001
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0297 0.3312 0.3117
Entamoeba histolytica hypothetical protein 0.0043 0.0284 0.3661
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0079 0.0707 0.0436
Brugia malayi Thioredoxin reductase 0.0858 1 1
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0079 0.0707 0.0586
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0079 0.0707 0.067
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0079 0.0707 0.204
Echinococcus granulosus neuropeptide receptor A26 0.056 0.6447 0.6343
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0294 0.001
Schistosoma mansoni hypothetical protein 0.0164 0.1721 0.1479
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.7729 0.7662
Trypanosoma cruzi trypanothione reductase, putative 0.0297 0.3312 0.3225
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0297 0.3312 0.3225
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0079 0.0707 0.1884
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0079 0.0707 0.1884
Echinococcus granulosus neuropeptide s receptor 0.056 0.6447 0.6343
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0079 0.0707 0.204
Echinococcus multilocularis glutamate synthase 0.0079 0.0707 0.0436
Mycobacterium ulcerans ferredoxin reductase 0.0079 0.0707 0.204
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0079 0.0707 0.067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0294 0.001
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3286
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0079 0.0707 0.0611
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0129 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Entamoeba histolytica hypothetical protein 0.0043 0.0284 0.3661
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0297 0.3312 0.3286
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0102 0.0193
Mycobacterium ulcerans dehydrogenase 0.0079 0.0707 0.204
Entamoeba histolytica hypothetical protein 0.0043 0.0284 0.3661
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0079 0.0707 0.0611
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.6447 0.6343
Brugia malayi glutamate synthase 0.0079 0.0707 0.0707
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0297 0.3312 0.3286
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.0707 0.0611
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0297 0.3312 0.3243
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0707 0.0586
Giardia lamblia NADH oxidase lateral transfer candidate 0.0297 0.3312 1
Plasmodium falciparum glutathione reductase 0.0858 1 1
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0079 0.0707 0.0611
Schistosoma mansoni disulfide oxidoreductase 0.0079 0.0707 0.0436
Loa Loa (eye worm) hypothetical protein 0.0148 0.153 0.1496
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0297 0.3312 0.3117
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0298 0.0014
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0079 0.0707 0.0586
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0963 0.0699
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0478 0.02
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0242 0.0619
Echinococcus multilocularis neuropeptide s receptor 0.056 0.6447 0.6343
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0079 0.0707 0.0707
Plasmodium falciparum thioredoxin reductase 0.0297 0.3312 0.3243
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0079 0.0707 0.067
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0079 0.0707 0.067
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0079 0.0707 0.1884
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0297 0.3312 1
Mycobacterium ulcerans NADH dehydrogenase 0.0079 0.0707 0.204
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.3135 0.3108
Treponema pallidum thioredoxin reductase (trxB) 0.0079 0.0707 0.1884
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0079 0.0707 0.204
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0079 0.0707 0.0611
Onchocerca volvulus Huntingtin homolog 0.0148 0.153 0.3655
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0298 0.0171
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0079 0.0707 0.067
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0079 0.0707 0.0436
Echinococcus multilocularis geminin 0.0164 0.1721 0.1479
Trypanosoma brucei trypanothione reductase 0.0858 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0478 0.044
Schistosoma mansoni glutamate synthase 0.0079 0.0707 0.0436
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0298 0.3868
Brugia malayi follicle stimulating hormone receptor 0.0283 0.3135 0.3135
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0079 0.0707 0.067
Mycobacterium ulcerans glutamate synthase subunit beta 0.0079 0.0707 0.204
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0102 0.0193
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0079 0.0707 0.204
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0079 0.0707 0.0707
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0298 0.0014
Schistosoma mansoni inositol monophosphatase 0.0045 0.0298 0.0014
Loa Loa (eye worm) hypothetical protein 0.003 0.0129 0.009
Leishmania major hypothetical protein, conserved 0.0079 0.0707 0.067
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0963 0.0699
Leishmania major NADH dehydrogenase, putative 0.0079 0.0707 0.067
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3171 0.2971
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0297 0.3312 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0297 0.3312 0.3243
Echinococcus granulosus glutamate synthase 0.0079 0.0707 0.0436
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0079 0.0707 0.067
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0079 0.0707 0.204
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0079 0.0707 0.204
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0297 0.3312 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0079 0.0707 0.0436
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0079 0.0707 1
Entamoeba histolytica hypothetical protein 0.0028 0.0102 0.0945
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0297 0.3312 0.3286
Toxoplasma gondii selenide, water dikinase 0.0079 0.0707 0.0611
Trichomonas vaginalis glutathione reductase, putative 0.0297 0.3312 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0079 0.0707 0.0436
Loa Loa (eye worm) thioredoxin reductase 0.0858 1 1
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0079 0.0707 0.0436
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0294 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0294 0.0294
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0218 0.2371 0.2371
Trypanosoma cruzi NADH dehydrogenase, putative 0.0079 0.0707 0.0586
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0079 0.0707 0.1358
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0079 0.0707 0.0436
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0079 0.0707 0.1358
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0079 0.0707 0.0611
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0079 0.0707 0.1358
Plasmodium vivax glutathione reductase, putative 0.0858 1 1
Loa Loa (eye worm) inositol-1 0.0045 0.0298 0.0259
Trichomonas vaginalis glutamate synthase, putative 0.0079 0.0707 0.1358
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0102 0.0063
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0963 0.0699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0294 0.001
Schistosoma mansoni inositol monophosphatase 0.0045 0.0298 0.0014
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0079 0.0707 0.067
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0129 0.0027
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3171 0.2971
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0297 0.3312 0.3243
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0298 0.0197
Mycobacterium tuberculosis Probable oxidoreductase 0.0297 0.3312 0.3286
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0297 0.3312 0.3286
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0129 0.0027
Loa Loa (eye worm) hypothetical protein 0.0148 0.153 0.1496
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0079 0.0707 0.067
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0079 0.0707 0.067
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0102 0.0063
Brugia malayi hypothetical protein 0.0148 0.153 0.153
Onchocerca volvulus 0.0058 0.046 0.1032
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0129 0.0027
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0707 0.0586
Trichomonas vaginalis mercuric reductase, putative 0.0297 0.3312 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0297 0.3312 0.3117
Leishmania major hypothetical protein, conserved 0.0079 0.0707 0.067
Trypanosoma brucei NADH dehydrogenase 0.0079 0.0707 0.0611
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0079 0.0707 0.0436
Chlamydia trachomatis thioredoxin reductase 0.0079 0.0707 0.1884
Entamoeba histolytica thioredoxin reductase, putative 0.0079 0.0707 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0297 0.3312 0.3243
Trypanosoma cruzi NADH dehydrogenase, putative 0.0079 0.0707 0.0586
Trypanosoma cruzi trypanothione reductase, putative 0.0858 1 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0079 0.0707 1
Leishmania major hypothetical protein, conserved 0.003 0.0129 0.009
Treponema pallidum oxidoreductase 0.0079 0.0707 0.1884
Trichomonas vaginalis apoptosis inducing factor, putative 0.0079 0.0707 0.1358
Schistosoma mansoni hypothetical protein 0.0079 0.0707 0.0436
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0294 0.001
Plasmodium falciparum ferrodoxin reductase-like protein 0.0079 0.0707 0.0611
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0079 0.0707 0.067
Brugia malayi Inositol-1 0.0045 0.0298 0.0298
Onchocerca volvulus Huntingtin homolog 0.0148 0.153 0.3655
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0079 0.0707 0.0611
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0079 0.0707 0.0611
Echinococcus granulosus tumor protein p63 0.0408 0.4631 0.4474
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0298 0.0789
Loa Loa (eye worm) hypothetical protein 0.01 0.0963 0.0927
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0297 0.3312 0.3243
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0297 0.3312 0.3312
Toxoplasma gondii thioredoxin reductase 0.0858 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0079 0.0707 0.067
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0079 0.0707 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Brugia malayi hypothetical protein 0.0365 0.4117 0.4117
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0079 0.0707 0.204
Plasmodium falciparum thioredoxin reductase 0.0858 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.0284 0.3661
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0297 0.3312 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0298 0.0259
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0079 0.0707 0.0436
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0297 0.3312 0.3243
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0079 0.0707 0.204
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0079 0.0707 0.204
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0297 0.3312 1
Schistosoma mansoni glutamate synthase 0.0079 0.0707 0.0436
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0297 0.3312 0.3243
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0079 0.0707 0.204
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0297 0.3312 0.3243
Onchocerca volvulus 0.006 0.0478 0.1075
Trichomonas vaginalis glutamate synthase, putative 0.0079 0.0707 0.1358
Loa Loa (eye worm) programmed cell death 8 0.0079 0.0707 0.067
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Echinococcus granulosus geminin 0.0164 0.1721 0.1479
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0079 0.0707 0.204
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0079 0.0707 0.1358
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0297 0.3312 0.3225
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0242 0.0203
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0298 0.0197
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0079 0.0707 0.0436
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0079 0.0707 0.0586
Leishmania major hypothetical protein, conserved 0.0079 0.0707 0.067
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0218 0.2371 0.2371
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0298 0.0171
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0297 0.3312 0.3286
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0039 0.0039
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0079 0.0707 0.0436
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0129 0.0027
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0297 0.3312 0.3225
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0102 0.0193
Echinococcus multilocularis tumor protein p63 0.0408 0.4631 0.4474
Plasmodium falciparum glutathione reductase 0.0297 0.3312 0.3243
Loa Loa (eye worm) glutathione reductase 0.0858 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0079 0.0707 0.1358
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0297 0.3312 1
Echinococcus granulosus microtubule associated protein 2 0.0668 0.7729 0.7662
Mycobacterium tuberculosis Probable dehydrogenase 0.0079 0.0707 0.067
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0079 0.0707 0.0436
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0079 0.0707 0.0707
Schistosoma mansoni sulfide quinone reductase 0.0079 0.0707 0.0436
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0294 0.0255
Schistosoma mansoni hypothetical protein 0.0164 0.1721 0.1479
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0963 0.0963
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0079 0.0707 0.0611
Onchocerca volvulus 0.0079 0.0707 0.1637

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7375 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.5119 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) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1441 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.9433 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) 8.8612 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5168 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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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