Detailed information for compound 1258675

Basic information

Technical information
  • TDR Targets ID: 1258675
  • Name: N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)s ulfanylacetamide
  • MW: 321.398 | Formula: C14H19N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.54 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)NC(=O)CSc1nnnn1C
  • InChi: 1S/C14H19N5O2S/c1-3-4-9-21-12-7-5-11(6-8-12)15-13(20)10-22-14-16-17-18-19(14)2/h5-8H,3-4,9-10H2,1-2H3,(H,15,20)
  • InChiKey: NQPDETHKBMQVQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide
  • N-(4-butoxyphenyl)-2-[(1-methyl-5-tetrazolyl)thio]acetamide
  • N-(4-butoxyphenyl)-2-[(1-methyltetrazol-5-yl)thio]acetamide
  • N-(4-butoxyphenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide
  • MLS000064427
  • N-(4-butoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
  • SMR000078092
  • STK226589
  • ZINC02741175

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0035 0.0209 0.0425
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.5702 0.5702
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0035 0.0209 0.0304
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0035 0.0209 0.0304
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Schistosoma mansoni hypothetical protein 0.0197 0.1542 0.1542
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0035 0.0209 0.0273
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Schistosoma mansoni ap endonuclease 0.002 0.0082 0.0082
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0096 0.0096
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0702 0.2069
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0096 0.0096
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0035 0.0209 0.0304
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0067 0.0472 0.0686
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0093 0.0093
Brugia malayi Inositol-1 0.0041 0.0259 0.0346
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0035 0.0209 0.0425
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0209 0.0425
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0702 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.019 0.0246
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0035 0.0209 0.0425
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0093 0.0136
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Onchocerca volvulus 0.0054 0.0363 0.0259
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0035 0.0209 0.0264
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Leishmania major NADH dehydrogenase, putative 0.0035 0.0209 0.0425
Schistosoma mansoni kinase 0.0048 0.0317 0.0317
Schistosoma mansoni hypothetical protein 0.0469 0.3786 0.3786
Onchocerca volvulus 0.0035 0.0209 0.0028
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0035 0.0209 0.0425
Onchocerca volvulus Huntingtin homolog 0.0137 0.1048 0.1283
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Toxoplasma gondii LsmAD domain-containing protein 0.0109 0.0819 0.246
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Trichomonas vaginalis glutamate synthase, putative 0.0035 0.0209 0.0448
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0843 0.6879 0.6879
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0093 0.0093
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.097 0.7927 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0472 0.0655
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Trypanosoma brucei trypanothione reductase 0.0383 0.3077 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Echinococcus multilocularis cpg binding protein 0.0035 0.0206 0.0299
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0011 0.0006 0.0009
Schistosoma mansoni ap endonuclease 0.002 0.0082 0.0082
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0093 0.0104
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0133 0.1013 0.3109
Brugia malayi regulator of G-protein signaling egl-10 0.0021 0.0093 0.0104
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Onchocerca volvulus 0.0843 0.6879 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0021 0.0093 0.0103
Mycobacterium ulcerans glutamate synthase subunit beta 0.0035 0.0209 0.0304
Onchocerca volvulus 0.0527 0.4265 0.6092
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0093 0.0104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.1491 0.1491
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0259 0.2559
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.2099 0.3051
Trichomonas vaginalis apoptosis inducing factor, putative 0.0035 0.0209 0.0448
Echinococcus multilocularis thioredoxin glutathione reductase 0.0384 0.3086 0.4487
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0096 0.0106
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0035 0.0209 0.0304
Leishmania major hypothetical protein, conserved 0.0035 0.0209 0.0425
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.1491 0.2168
Onchocerca volvulus 0.0067 0.0472 0.0421
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0035 0.0209 0.0264
Onchocerca volvulus Huntingtin homolog 0.0137 0.1048 0.1283
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0035 0.0209 0.0304
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0093 0.0136
Entamoeba histolytica hypothetical protein 0.0021 0.0093 0.0183
Giardia lamblia NADH oxidase lateral transfer candidate 0.0133 0.1013 1
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0035 0.0209 0.0264
Loa Loa (eye worm) hypothetical protein 0.0109 0.0819 0.1161
Schistosoma mansoni hypothetical protein 0.0035 0.0209 0.0209
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0133 0.1013 0.3109
Entamoeba histolytica thioredoxin reductase, putative 0.0035 0.0209 0.2055
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0133 0.1013 0.1013
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0133 0.1013 0.3109
Echinococcus granulosus cpg binding protein 0.0035 0.0206 0.0299
Mycobacterium tuberculosis Probable dehydrogenase 0.0873 0.7123 0.8986
Plasmodium vivax thioredoxin reductase, putative 0.0383 0.3077 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0082 0.0103
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0035 0.0209 0.2066
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0702 0.102
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0035 0.0209 0.0425
Toxoplasma gondii selenide, water dikinase 0.0035 0.0209 0.0425
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0096 0.0096
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Mycobacterium tuberculosis Probable reductase 0.0873 0.7123 0.8986
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0035 0.0209 0.0448
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0035 0.0209 0.0448
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0796 0.649 0.9435
Onchocerca volvulus 0.0843 0.6879 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0067 0.0472 0.0686
Schistosoma mansoni glutaminase 0.0576 0.4673 0.4673
Loa Loa (eye worm) glutathione reductase 0.0383 0.3077 0.4455
Echinococcus multilocularis Regulator of G protein signaling 20 0.0021 0.0093 0.0136
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0453 0.124
Loa Loa (eye worm) inositol-1 0.0041 0.0259 0.0345
Leishmania major hypothetical protein, conserved 0.0035 0.0209 0.0425
Echinococcus granulosus enteropeptidase 0.0843 0.6879 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Echinococcus granulosus microtubule associated protein 2 0.0701 0.5702 0.8289
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0035 0.0209 0.0304
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0259 0.0377
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0133 0.1013 0.1473
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0035 0.0209 0.0304
Echinococcus multilocularis enteropeptidase 0.0843 0.6879 1
Trichomonas vaginalis glutamate synthase, putative 0.0035 0.0209 0.0448
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0035 0.0209 0.0425
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0133 0.1013 0.3109
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0191 0.1491 0.2142
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0093 0.0136
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0702 0.0991
Trypanosoma brucei polo-like protein kinase 0.0095 0.0702 0.2069
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Trypanosoma cruzi trypanothione reductase, putative 0.0133 0.1013 0.3109
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0843 0.6879 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0873 0.7123 0.8986
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0093 0.0136
Plasmodium vivax SET domain protein, putative 0.0067 0.0472 0.1301
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0093 0.0136
Echinococcus granulosus glutamate synthase 0.0035 0.0209 0.0304
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0035 0.0209 0.2066
Plasmodium vivax ataxin-2 like protein, putative 0.0109 0.0819 0.246
Brugia malayi hypothetical protein 0.0109 0.0819 0.1162
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Brugia malayi Trypsin family protein 0.0843 0.6879 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0259 0.0259
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0035 0.0209 0.0304
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0035 0.0209 0.0425
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0006 0.0009
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0133 0.1013 1
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0035 0.0209 0.0425
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0133 0.1013 0.1278
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0035 0.0209 0.0304
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0843 0.6879 1
Brugia malayi hypothetical protein 0.007 0.05 0.0697
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0021 0.0093 0.02
Echinococcus granulosus thioredoxin glutathione reductase 0.0384 0.3086 0.4487
Schistosoma mansoni glutamate synthase 0.0035 0.0209 0.0209
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0259 0.0592
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0096 0.0108
Giardia lamblia Kinase, PLK 0.0095 0.0702 0.6653
Brugia malayi Trypsin family protein 0.0843 0.6879 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0035 0.0209 0.2055
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0288 0.2299 0.3321
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0049 0.0322 0.0469
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0035 0.0209 0.0304
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0191 0.1491 0.2143
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0035 0.0209 0.0264
Schistosoma mansoni sulfide quinone reductase 0.0035 0.0209 0.0209
Schistosoma mansoni survival motor neuron protein 0.0054 0.0363 0.0363
Schistosoma mansoni hypothetical protein 0.0197 0.1542 0.1542
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0064 0.0446 0.0648
Onchocerca volvulus 0.0843 0.6879 1
Brugia malayi hypothetical protein 0.0264 0.2099 0.3029
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0093 0.0136
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0093 0.0093
Giardia lamblia Thioredoxin reductase 0.0035 0.0209 0.1367
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0035 0.0209 0.0304
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0035 0.0209 0.0264
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Plasmodium falciparum glutathione reductase 0.0133 0.1013 0.3109
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Mycobacterium ulcerans monoxygenase 0.0035 0.0209 0.0304
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0067 0.0472 0.0472
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0082 0.0175
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0259 0.2862
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Trypanosoma brucei NADH dehydrogenase 0.0035 0.0209 0.0425
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0702 0.0702
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0363 0.0498
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.019 0.0244
Schistosoma mansoni glutamate synthase 0.0035 0.0209 0.0209
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0035 0.0209 0.0273
Trichomonas vaginalis mercuric reductase, putative 0.0133 0.1013 0.2168
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1565 0.3349
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0702 0.0764
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0006 0.0009
Treponema pallidum thioredoxin reductase (trxB) 0.0035 0.0209 0.2066
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0035 0.0209 0.2055
Mycobacterium ulcerans hypothetical protein 0.0035 0.0209 0.0304
Brugia malayi Thioredoxin reductase 0.0383 0.3077 0.4455
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0035 0.0209 0.0425
Mycobacterium ulcerans glutaminase 0.0576 0.4673 0.6793
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0035 0.0209 0.0264
Mycobacterium ulcerans dehydrogenase 0.0035 0.0209 0.0304
Schistosoma mansoni hypothetical protein 0.0054 0.0363 0.0363
Leishmania major trypanothione reductase 0.0383 0.3077 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0096 0.0139
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0702 0.099
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0093 0.0136
Echinococcus multilocularis glycoprotein Antigen 5 0.0843 0.6879 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0873 0.7123 0.8986
Brugia malayi glutaminase DH11.1 0.0576 0.4673 0.6783
Plasmodium falciparum ataxin-2 like protein, putative 0.0109 0.0819 0.246
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0259 0.0555
Giardia lamblia Glutamate synthase 0.0035 0.0209 0.1367
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0463 0.3738 0.5419
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0133 0.1013 0.1446
Entamoeba histolytica hypothetical protein 0.0021 0.0093 0.0183
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0035 0.0209 0.0425
Echinococcus granulosus Mastin 0.0843 0.6879 1
Brugia malayi Pre-SET motif family protein 0.0067 0.0472 0.0656
Echinococcus granulosus mixed lineage leukemia protein mll 0.0011 0.0006 0.0009
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0702 0.2069
Echinococcus granulosus geminin 0.0197 0.1542 0.2241
Onchocerca volvulus 0.0843 0.6879 1
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0035 0.0209 0.0425
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0035 0.0209 0.0304
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0133 0.1013 0.3109
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0035 0.0209 0.0304
Treponema pallidum oxidoreductase 0.0035 0.0209 0.2066
Brugia malayi Trypsin family protein 0.0843 0.6879 1
Plasmodium vivax ferrodoxin reductase, putative 0.0035 0.0209 0.0425
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0133 0.1013 0.1473
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0702 0.102
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0021 0.0093 0.0136
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Echinococcus multilocularis glutamate synthase 0.0035 0.0209 0.0304
Brugia malayi glutathione reductase 0.0383 0.3077 0.4455
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0093 0.0136
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0306 0.0655
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0209 0.0425
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0133 0.1013 0.3109
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0133 0.1013 0.3109
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0013 0.0023 0.0033
Loa Loa (eye worm) thioredoxin reductase 0.0383 0.3077 0.4455
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0035 0.0209 0.0425
Trypanosoma cruzi NADH dehydrogenase, putative 0.0035 0.0209 0.0425
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Echinococcus granulosus transmembrane protease serine 3 0.0843 0.6879 1
Echinococcus granulosus glycoprotein Antigen 5 0.0843 0.6879 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0035 0.0209 0.0272
Entamoeba histolytica hypothetical protein 0.0021 0.0093 0.0183
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0873 0.7123 0.8986
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0093 0.0093
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Echinococcus granulosus expressed protein 0.0412 0.3317 0.4822
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0035 0.0209 0.0425
Echinococcus granulosus Regulator of G protein signaling 20 0.0021 0.0093 0.0136
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0133 0.1013 0.3109
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0259 0.0377
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Brugia malayi hypothetical protein 0.0021 0.0093 0.0104
Schistosoma mansoni disulfide oxidoreductase 0.0035 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0137 0.1048 0.1495
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0259 0.0592
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0093 0.0093
Echinococcus granulosus histone lysine methyltransferase setb 0.0067 0.0472 0.0686
Brugia malayi hypothetical protein 0.0843 0.6879 1
Plasmodium vivax glutathione reductase, putative 0.0383 0.3077 1
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0035 0.0209 0.0304
Schistosoma mansoni inositol monophosphatase 0.0041 0.0259 0.0259
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0133 0.1013 0.1473
Leishmania major hypothetical protein, conserved 0.0035 0.0209 0.0425
Echinococcus multilocularis regulator of G protein signaling 0.0021 0.0093 0.0136
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0133 0.1013 0.3109
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0082 0.0086
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0843 0.6879 0.6879
Entamoeba histolytica disulphide oxidoreductase, putative 0.0035 0.0209 0.2055
Toxoplasma gondii NADPH-glutathione reductase 0.0133 0.1013 0.3109
Trichomonas vaginalis set domain proteins, putative 0.0527 0.4265 0.9127
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Schistosoma mansoni cpg binding protein 0.0033 0.019 0.019
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0224 0.0282
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Echinococcus multilocularis transmembrane protease serine 3 0.0843 0.6879 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0093 0.0136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0191 0.1491 0.2168
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0035 0.0209 0.0448
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0035 0.0209 0.0304
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0035 0.0209 0.0304
Onchocerca volvulus 0.0843 0.6879 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0013 0.0023 0.0033
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0035 0.0209 0.0448
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0093 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0021 0.0093 0.0093
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0035 0.0209 0.0264
Toxoplasma gondii thioredoxin reductase 0.0383 0.3077 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0035 0.0209 0.0448
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0049 0.0322 0.0469
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.097 0.7927 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0515 0.0515
Echinococcus multilocularis expressed protein 0.0412 0.3317 0.4822
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0224 0.0282
Schistosoma mansoni hypothetical protein 0.0843 0.6879 0.6879
Schistosoma mansoni hypothetical protein 0.0843 0.6879 0.6879
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0035 0.0209 0.0425
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0035 0.0209 0.0425
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0383 0.3077 0.3882
Loa Loa (eye worm) PXA domain-containing protein 0.0021 0.0093 0.0103
Plasmodium falciparum glutathione reductase 0.0383 0.3077 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0093 0.0093
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0082 0.0119
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0133 0.1013 0.3109
Onchocerca volvulus Glucosylceramidase homolog 0.0189 0.1481 0.1929
Mycobacterium tuberculosis Probable oxidoreductase 0.097 0.7927 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0035 0.0209 0.2055
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0035 0.0209 0.0425
Treponema pallidum NADH oxidase 0.0133 0.1013 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0133 0.1013 1
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.5702 0.8289
Trypanosoma brucei PAB1-binding protein , putative 0.0109 0.0819 0.246
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0093 0.0093
Trichomonas vaginalis glutathione reductase, putative 0.0133 0.1013 0.2168
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0035 0.0209 0.0273
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0133 0.1013 0.3109
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0133 0.1013 1
Brugia malayi Pre-SET motif family protein 0.0463 0.3738 0.542
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Echinococcus multilocularis dnaJ subfamily B 0.0469 0.3786 0.5504
Schistosoma mansoni glutamate synthase 0.0035 0.0209 0.0209
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0035 0.0209 0.0425
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.1491 0.1491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0191 0.1491 0.1491
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.1491 0.2168
Mycobacterium ulcerans hypothetical protein 0.0843 0.6879 1
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0035 0.0209 0.2066
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0035 0.0209 0.0264
Schistosoma mansoni z-protein (S1r protein) 0.0021 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0049 0.0322 0.0322
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0472 0.0472
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2227 0.3215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0191 0.1491 0.2168
Loa Loa (eye worm) trypsin family protein 0.0843 0.6879 1
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0035 0.0209 0.0264
Trypanosoma cruzi NADH dehydrogenase, putative 0.0035 0.0209 0.0425
Echinococcus granulosus dnaJ subfamily B 0.0469 0.3786 0.5504
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0035 0.0209 0.1367
Schistosoma mansoni sulfide quinone reductase 0.0035 0.0209 0.0209
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0133 0.1013 0.1473
Brugia malayi PXA domain containing protein 0.0021 0.0093 0.0104
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0133 0.1013 0.3109
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0035 0.0209 0.2055
Trypanosoma cruzi trypanothione reductase, putative 0.0383 0.3077 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2099 0.3028
Plasmodium falciparum thioredoxin reductase 0.0383 0.3077 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0209 0.0425
Brugia malayi PXA domain containing protein 0.0021 0.0093 0.0104
Brugia malayi hypothetical protein 0.0021 0.0093 0.0104
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0082 0.0175
Loa Loa (eye worm) programmed cell death 8 0.0035 0.0209 0.0272
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0093 0.0136
Trypanosoma cruzi PAB1-binding protein , putative 0.0109 0.0819 0.246
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Loa Loa (eye worm) hypothetical protein 0.0035 0.0209 0.0272
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0843 0.6879 1
Brugia malayi hypothetical protein 0.0137 0.1048 0.1497
Trypanosoma cruzi PAB1-binding protein , putative 0.0109 0.0819 0.246
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0873 0.7123 0.8986
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0472 0.0472
Loa Loa (eye worm) glutaminase 0.0576 0.4673 0.6782
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0093 0.02
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0103
Onchocerca volvulus 0.0843 0.6879 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0067 0.0472 0.1301
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0133 0.1013 0.3109
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0873 0.7123 0.8986
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0082 0.0809
Brugia malayi Trypsin family protein 0.0843 0.6879 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0097 0.0723 0.1022
Trichomonas vaginalis glutaminase, putative 0.0576 0.4673 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0093 0.0136
Schistosoma mansoni cpg binding protein 0.0035 0.0206 0.0206
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.1565 0.3349
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0259 0.0592
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0702 0.2069
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.097 0.7927 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0259 0.0555
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0035 0.0209 0.2055
Schistosoma mansoni cpg binding protein 0.0035 0.0206 0.0206
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0259 0.0377
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0082 0.0119
Mycobacterium ulcerans ferredoxin reductase 0.0035 0.0209 0.0304
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Leishmania major hypothetical protein, conserved 0.0109 0.0819 0.246
Plasmodium falciparum ferrodoxin reductase-like protein 0.0035 0.0209 0.0425
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0288 0.2299 0.3322
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0082 0.0809
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0259 0.0555
Brugia malayi glutamate synthase 0.0035 0.0209 0.0273
Loa Loa (eye worm) hypothetical protein 0.0137 0.1048 0.1495
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0702 0.1501
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0306 0.0655
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0035 0.0209 0.0425
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0035 0.0209 0.0425
Brugia malayi regulator of G-protein signaling rgs-7 0.0021 0.0093 0.0104
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Loa Loa (eye worm) hypothetical protein 0.0843 0.6879 1
Trichomonas vaginalis glucosylceramidase, putative 0.0288 0.2299 0.4921
Echinococcus multilocularis geminin 0.0197 0.1542 0.2241
Echinococcus multilocularis Mastin 0.0843 0.6879 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0097 0.0723 0.1022
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0035 0.0209 0.0304
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0082 0.0119
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0093 0.0136
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0093 0.0093
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1481 0.3169
Loa Loa (eye worm) glutaminase 2 0.0576 0.4673 0.6782
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0096 0.0139
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0035 0.0209 0.0304
Schistosoma mansoni cercarial elastase (S01 family) 0.0843 0.6879 0.6879
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0035 0.0209 0.0304
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0259 0.0592
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0021 0.0093 0.0136
Brugia malayi follicle stimulating hormone receptor 0.028 0.2227 0.3216
Mycobacterium ulcerans NADH dehydrogenase 0.0035 0.0209 0.0304
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0133 0.1013 0.1473
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0096 0.0106
Loa Loa (eye worm) RGS-3 protein 0.0021 0.0093 0.0103
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.2099 0.3051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0133 0.1013 0.3109
Brugia malayi Trypsin-like protease protein 5 0.0843 0.6879 1
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0035 0.0209 0.0425
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0472 0.0472
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0035 0.0209 0.0264
Plasmodium falciparum ataxin-2 like protein, putative 0.0109 0.0819 0.246
Brugia malayi A-kinase anchor protein 10, precursor 0.0021 0.0093 0.0104
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0259 0.0592
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0843 0.6879 1
Plasmodium falciparum thioredoxin reductase 0.0133 0.1013 0.3109
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0082 0.0088

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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