Detailed information for compound 435021

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.926 | Formula: C23H17ClN4S
  • H donors: 1 H acceptors: 2 LogP: 7.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)/C=C/c1sc(n[n+]1c1ccccc1)Nc1ccccc1.[Cl-]
  • InChi: 1S/C23H17N4S.ClH/c24-17-19-13-11-18(12-14-19)15-16-22-27(21-9-5-2-6-10-21)26-23(28-22)25-20-7-3-1-4-8-20;/h1-16H,(H,25,26);1H/q+1;/p-1/b16-15+;
  • InChiKey: FGWMGYQHEPHKOV-GEEYTBSJSA-M  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0082 0.0817 0.0817
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.031 0.3391 0.3338
Loa Loa (eye worm) thioredoxin reductase 0.0893 1 1
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0082 0.0817 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.016 0.1953
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.031 0.3391 0.3391
Treponema pallidum NADH oxidase 0.031 0.3391 1
Treponema pallidum thioredoxin reductase (trxB) 0.0082 0.0817 0.2409
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0082 0.0817 0.2409
Schistosoma mansoni hypothetical protein 0.0172 0.1837 0.1837
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0082 0.0817 0.0817
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0082 0.0817 0.0817
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0413 0.0413
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.016 0.047
Toxoplasma gondii thioredoxin reductase 0.0893 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.016 0.0081
Chlamydia trachomatis thioredoxin reductase 0.0082 0.0817 0.2409
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0082 0.0817 0.2409
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0082 0.0817 0.2409
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0082 0.0817 0.0743
Echinococcus granulosus glutamate synthase 0.0082 0.0817 0.0817
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0082 0.0817 0.2409
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0082 0.0817 0.0743
Plasmodium vivax thioredoxin reductase, putative 0.0893 1 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.016 0.016
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.016 0.047
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0082 0.0817 0.0817
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.031 0.3391 0.3391
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.031 0.3391 0.3391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0413 0.0413
Leishmania major NADH dehydrogenase, putative 0.0082 0.0817 0.0668
Schistosoma mansoni disulfide oxidoreductase 0.0082 0.0817 0.0817
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.016 0.047
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0082 0.0817 0.0817
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.031 0.3391 0.3391
Leishmania major trypanothione reductase 0.0893 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0091 0.0091
Mycobacterium ulcerans hypothetical protein 0.0024 0.016 0.047
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.016 0.047
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0082 0.0817 0.2409
Leishmania major hypothetical protein, conserved 0.0082 0.0817 0.0668
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0082 0.0817 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0227 0.2461 0.2461
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0082 0.0817 0.2409
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0082 0.0817 0.0668
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.016 0.1953
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0413 0.0413
Loa Loa (eye worm) programmed cell death 8 0.0082 0.0817 0.0817
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0082 0.0817 0.2409
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0091 0.0091
Onchocerca volvulus 0.0082 0.0817 1
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0817 0.0817
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0082 0.0817 0.0817
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.016 0.0081
Plasmodium falciparum glutathione reductase 0.0893 1 1
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0082 0.0817 0.0817
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0091 0.0011
Loa Loa (eye worm) hypothetical protein 0.0024 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0082 0.0817 0.0817
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.031 0.3391 0.3338
Trichomonas vaginalis glutamate synthase, putative 0.0082 0.0817 0.2409
Trypanosoma cruzi trypanothione reductase, putative 0.031 0.3391 0.3391
Leishmania major dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3284
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.031 0.3391 0.3391
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.031 0.3391 0.3391
Brugia malayi AMP-binding enzyme family protein 0.0024 0.016 0.016
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0082 0.0817 0.0817
Echinococcus granulosus geminin 0.0172 0.1837 0.1837
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0091 0.0267
Mycobacterium ulcerans hypothetical protein 0.0082 0.0817 0.2409
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0082 0.0817 0.0817
Leishmania major hypothetical protein, conserved 0.0082 0.0817 0.0668
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0082 0.0817 0.2409
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0082 0.0817 0.2409
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.016 0.047
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0082 0.0817 0.0817
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0082 0.0817 0.0817
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0091 0.0267
Loa Loa (eye worm) hypothetical protein 0.0024 0.016 0.016
Leishmania major hypothetical protein, conserved 0.0082 0.0817 0.0668
Loa Loa (eye worm) hypothetical protein 0.0024 0.016 0.016
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.031 0.3391 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0413 0.0413
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.031 0.3391 0.3391
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0082 0.0817 0.0817
Toxoplasma gondii selenide, water dikinase 0.0082 0.0817 0.0817
Trichomonas vaginalis glutathione reductase, putative 0.031 0.3391 1
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0082 0.0817 0.0817
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.016 0.047
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0082 0.0817 1
Mycobacterium ulcerans dehydrogenase 0.0082 0.0817 0.2409
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0082 0.0817 0.0817
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0082 0.0817 0.0817
Plasmodium falciparum ferrodoxin reductase-like protein 0.0082 0.0817 0.0817
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0082 0.0817 0.0743
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409
Giardia lamblia Glutamate synthase 0.0082 0.0817 0.2409
Entamoeba histolytica thioredoxin reductase, putative 0.0082 0.0817 1
Trichomonas vaginalis mercuric reductase, putative 0.031 0.3391 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0082 0.0817 0.0817
Brugia malayi Thioredoxin reductase 0.0893 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.031 0.3391 0.3391
Echinococcus multilocularis glutamate synthase 0.0082 0.0817 0.0817
Toxoplasma gondii NADPH-glutathione reductase 0.031 0.3391 0.3391
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0893 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0091 0.0091
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0082 0.0817 0.2409
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0082 0.0817 0.2409
Leishmania major acetoin dehydrogenase e3 component-like protein 0.031 0.3391 0.3284
Loa Loa (eye worm) hypothetical protein 0.0018 0.0091 0.0091
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.031 0.3391 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.031 0.3391 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.031 0.3391 0.3284
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.016 0.047
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0082 0.0817 0.0743
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0413 0.0413
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.016 0.047
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0082 0.0817 0.0817
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0082 0.0817 0.0817
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0082 0.0817 0.2409
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0082 0.0817 0.0743
Echinococcus multilocularis geminin 0.0172 0.1837 0.1837
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0082 0.0817 0.2409
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0082 0.0817 1
Schistosoma mansoni sulfide quinone reductase 0.0082 0.0817 0.0817
Treponema pallidum oxidoreductase 0.0082 0.0817 0.2409
Giardia lamblia NADH oxidase lateral transfer candidate 0.031 0.3391 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.031 0.3391 0.3338
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0082 0.0817 0.0817
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0082 0.0817 0.0817
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0082 0.0817 0.2409
Plasmodium falciparum thioredoxin reductase 0.0893 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3284
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0082 0.0817 0.2409
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0413 0.0413
Trypanosoma brucei NADH dehydrogenase 0.0082 0.0817 0.0817
Schistosoma mansoni hypothetical protein 0.0172 0.1837 0.1837
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0082 0.0817 0.0817
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0082 0.0817 1
Brugia malayi glutamate synthase 0.0082 0.0817 0.0817
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0817 0.0817
Echinococcus granulosus thioredoxin glutathione reductase 0.0893 1 1
Schistosoma mansoni hypothetical protein 0.0082 0.0817 0.0817
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.031 0.3391 0.3391
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0082 0.0817 0.2409
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0082 0.0817 0.0817
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0082 0.0817 0.0743
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0082 0.0817 0.0817
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0227 0.2461 0.2461
Plasmodium falciparum thioredoxin reductase 0.031 0.3391 0.3391
Mycobacterium tuberculosis Probable dehydrogenase 0.0082 0.0817 0.0743
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0082 0.0817 0.0817
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Trypanosoma cruzi NADH dehydrogenase, putative 0.0082 0.0817 0.0817
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0413 0.0413
Brugia malayi AMP-binding enzyme family protein 0.0024 0.016 0.016
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0413 0.0413
Mycobacterium ulcerans monoxygenase 0.0082 0.0817 0.2409
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.031 0.3391 1
Plasmodium vivax ferrodoxin reductase, putative 0.0082 0.0817 0.0817
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0817 0.0817
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0082 0.0817 0.0817
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0413 0.0413
Mycobacterium tuberculosis Probable reductase 0.0082 0.0817 0.0743
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.031 0.3391 0.3391
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.031 0.3391 1
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0082 0.0817 0.0743
Onchocerca volvulus 0.0024 0.016 0.1953
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0082 0.0817 0.0743
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0082 0.0817 0.0817
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.016 0.047
Trypanosoma brucei trypanothione reductase 0.0893 1 1
Schistosoma mansoni glutamate synthase 0.0082 0.0817 0.0817
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0082 0.0817 0.0817
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0082 0.0817 0.2409
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0082 0.0817 0.0817
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Mycobacterium ulcerans ferredoxin reductase 0.0082 0.0817 0.2409
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0082 0.0817 0.0817
Trypanosoma cruzi NADH dehydrogenase, putative 0.0082 0.0817 0.0817
Entamoeba histolytica disulphide oxidoreductase, putative 0.0082 0.0817 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0091 0.0091
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409
Loa Loa (eye worm) hypothetical protein 0.0018 0.0091 0.0091
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0082 0.0817 0.0817
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0082 0.0817 0.0743
Trichomonas vaginalis apoptosis inducing factor, putative 0.0082 0.0817 0.2409
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0091 0.0091
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409
Echinococcus multilocularis thioredoxin glutathione reductase 0.0893 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.016 0.1953
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0082 0.0817 0.0817
Schistosoma mansoni sulfide quinone reductase 0.0082 0.0817 0.0817
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.031 0.3391 0.3391
Mycobacterium ulcerans flavoprotein disulfide reductase 0.031 0.3391 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Mycobacterium ulcerans NADH dehydrogenase 0.0082 0.0817 0.2409
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.031 0.3391 0.3391
Schistosoma mansoni glutamate synthase 0.0082 0.0817 0.0817
Schistosoma mansoni glutamate synthase 0.0082 0.0817 0.0817
Plasmodium falciparum glutathione reductase 0.031 0.3391 0.3391
Echinococcus granulosus microtubule associated protein 2 0.0701 0.7828 0.7828
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.031 0.3391 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0082 0.0817 0.0817
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0082 0.0817 0.0817
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0082 0.0817 0.0668
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.031 0.3391 0.3391
Plasmodium vivax glutathione reductase, putative 0.0893 1 1
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0082 0.0817 0.2409
Trichomonas vaginalis glutamate synthase, putative 0.0082 0.0817 0.2409
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.031 0.3391 0.3391
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.031 0.3391 0.3391
Loa Loa (eye worm) glutathione reductase 0.0893 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.031 0.3391 0.3391
Trypanosoma cruzi trypanothione reductase, putative 0.0893 1 1
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0082 0.0817 0.2409
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0082 0.0817 0.0817
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.7828 0.7828
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.7828 0.7828
Mycobacterium tuberculosis Probable oxidoreductase 0.031 0.3391 0.3338
Mycobacterium ulcerans glutamate synthase subunit beta 0.0082 0.0817 0.2409
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0082 0.0817 0.0743
Giardia lamblia Thioredoxin reductase 0.0082 0.0817 0.2409
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0082 0.0817 0.2409
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0082 0.0817 0.2409

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 15.96 uM Antileishmanial activity against Leishmania chagasi MCAN/BR/97/P142 proamastigotes ChEMBL. 17367894
ED50 (functional) = 28.12 uM Antileishmanial activity against Leishmania braziliensis MCAN/BR/98/R619 proamastigotes ChEMBL. 17367894
ED50 (functional) = 28.12 uM Antileishmanial activity against Leishmania braziliensis MCAN/BR/98/R619 proamastigotes ChEMBL. 17367894
TD50 (ADMET) = 441.26 uM Cytotoxicity against BALB/c mouse peritoneal macrophages assessed as cell viability after 24 hrs by MTT assay ChEMBL. 17367894

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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