Detailed information for compound 982124

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.548 | Formula: C24H27FN2S
  • H donors: 0 H acceptors: 0 LogP: 5.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)n1c(C)c(cc1c1ccc(cc1)F)CN1CCSCC1
  • InChi: 1S/C24H27FN2S/c1-3-19-4-10-23(11-5-19)27-18(2)21(17-26-12-14-28-15-13-26)16-24(27)20-6-8-22(25)9-7-20/h4-11,16H,3,12-15,17H2,1-2H3
  • InChiKey: QIAJXGOYXKMPJB-UHFFFAOYSA-N  


Substructure search Similarity search

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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
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0079 0.0268
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0021 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.0146 0.1755 0.5886
Trypanosoma brucei hypothetical protein, conserved 0.023 0.292 0.9965
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0298 0.0855
Schistosoma mansoni glutamate synthase 0.0021 0.0005 0.0005
Trypanosoma cruzi trypanothione reductase, putative 0.0231 0.2931 1
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0321 0.109
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.008 0.0825 0.2816
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0021 0.0005 0.0061
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.008 0.0825 0.2803
Onchocerca volvulus 0.0146 0.1755 0.5104
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0021 0.0005 0.0017
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0021 0.0005 0.0061
Trichomonas vaginalis apoptosis inducing factor, putative 0.0021 0.0005 0.0015
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0021 0.0005 0.0017
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0108 0.0353
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0108 0.0369
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0241 0.0241
Brugia malayi serine/threonine-protein kinase plk-2 0.0194 0.2421 0.8121
Echinococcus granulosus peregrin 0.0032 0.0149 0.0505
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0021 0.0005 0.0021
Loa Loa (eye worm) hypothetical protein 0.0054 0.0463 0.1554
Mycobacterium ulcerans monoxygenase 0.0021 0.0005 0.0061
Trypanosoma cruzi NADH dehydrogenase, putative 0.0021 0.0005 0.0017
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0021 0.0005 0.0017
Schistosoma mansoni chromobox protein 0.0075 0.076 0.076
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0059 0.0529 0.1774
Treponema pallidum NADH oxidase 0.008 0.0825 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1052 0.3062
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0234 0.2982 1
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0079 0.0266
Schistosoma mansoni hypothetical protein 0.0191 0.2373 0.2373
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0854 0.0854
Echinococcus granulosus chromobox protein 1 0.0075 0.076 0.2581
Giardia lamblia Thioredoxin reductase 0.0021 0.0005 0.0021
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Schistosoma mansoni hypothetical protein 0.0021 0.0005 0.0005
Mycobacterium ulcerans glutamate synthase subunit beta 0.0021 0.0005 0.0061
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0178 0.0178
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0585 0.7879 1
Schistosoma mansoni kinase 0.0099 0.1087 0.1087
Trypanosoma cruzi polo-like protein kinase, putative 0.0194 0.2421 0.8262
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0021 0.0005 0.0017
Trypanosoma cruzi polo-like protein kinase, putative 0.0194 0.2421 0.8262
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0343 0.0999
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0178 0.0592
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.008 0.0825 0.2816
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0079 0.0266
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0021 0.0005 0.0021
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0021 0.0005 0.0017
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0231 0.2931 0.372
Plasmodium falciparum glutathione reductase 0.008 0.0825 0.2803
Mycobacterium tuberculosis Probable dehydrogenase 0.0526 0.7058 0.8959
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0021 0.0005 0.0017
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0021 0.0005 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0126 0.0367
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0108 0.0353
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0021 0.0005 0.0017
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0021 0.0005 0.0006
Schistosoma mansoni hypothetical protein 0.0032 0.0149 0.0149
Trypanosoma brucei NADH dehydrogenase 0.0021 0.0005 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.292 0.9965
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.008 0.0825 0.28
Loa Loa (eye worm) glutathione reductase 0.0231 0.2931 0.9829
Onchocerca volvulus 0.0046 0.035 0.1007
Mycobacterium ulcerans flavoprotein disulfide reductase 0.008 0.0825 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0298 0.0869
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0021 0.0005 0.0017
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.008 0.0825 0.2803
Brugia malayi jmjC domain containing protein 0.0103 0.115 0.3858
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0005 0.0017
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1703 0.1703
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0526 0.7058 0.8959
Brugia malayi Pre-SET motif family protein 0.0234 0.2982 1
Brugia malayi glutathione reductase 0.0231 0.2931 0.9829
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0149 0.0499
Loa Loa (eye worm) thioredoxin reductase 0.0231 0.2931 0.9829
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0017
Echinococcus multilocularis chromobox protein 1 0.0075 0.076 0.2581
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1703 0.5778
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0194 0.2421 0.8217
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0232 0.2947 1
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Onchocerca volvulus Alhambra homolog 0.0032 0.0149 0.0419
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.008 0.0825 0.28
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0021 0.0005 0.0017
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.008 0.0825 0.2816
Trichomonas vaginalis set domain proteins, putative 0.0267 0.3434 1
Plasmodium falciparum phd finger protein, putative 0.0032 0.0149 0.0491
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0079 0.0951
Mycobacterium tuberculosis Conserved protein 0.0026 0.0079 0.01
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0021 0.0005 0.0021
Trypanosoma brucei polo-like protein kinase 0.0194 0.2421 0.8262
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0021 0.0005 0.0017
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.008 0.0825 0.2816
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.1703 0.571
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0021 0.0005 0.0017
Trichomonas vaginalis glutamate synthase, putative 0.0021 0.0005 0.0015
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0021 0.0005 0.0061
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0149 0.0505
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0149 0.0491
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0021 0.0005 0.0006
Brugia malayi chromobox protein homolog 3 0.0042 0.0298 0.1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0178 0.0604
Entamoeba histolytica disulphide oxidoreductase, putative 0.0021 0.0005 0.0021
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0149 0.0149
Trypanosoma cruzi NADH dehydrogenase, putative 0.0021 0.0005 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1703 0.5778
Onchocerca volvulus Serine\/threonine kinase homolog 0.0194 0.2421 0.7047
Brugia malayi Bromodomain containing protein 0.0032 0.0149 0.0499
Brugia malayi hypothetical protein 0.0029 0.0108 0.0363
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0149 0.0491
Toxoplasma gondii thioredoxin reductase 0.0231 0.2931 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1703 0.1703
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0585 0.7879 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0241 0.081
Trichomonas vaginalis glutamate synthase, putative 0.0021 0.0005 0.0015
Giardia lamblia NADH oxidase lateral transfer candidate 0.008 0.0825 0.3408
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1703 0.571
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0021 0.0005 0.0015
Schistosoma mansoni sulfide quinone reductase 0.0021 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0029 0.0108 0.0363
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0021 0.0005 0.0021
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0021 0.0005 0.0017
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0021 0.0005 0.0015
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0021 0.0005 0.0061
Plasmodium vivax SET domain protein, putative 0.0034 0.0178 0.0592
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0343 0.0986
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0021 0.0005 0.0015
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0079 0.0951
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1703 0.1703
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0079 0.0229
Leishmania major dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1703 0.5778
Leishmania major dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0021 0.0005 0.0017
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.008 0.0825 0.0825
Plasmodium falciparum thioredoxin reductase 0.0231 0.2931 1
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0108 0.0353
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0126 0.0367
Brugia malayi PHD-finger family protein 0.0032 0.0149 0.0499
Echinococcus multilocularis peregrin 0.0032 0.0149 0.0505
Leishmania major NADH dehydrogenase, putative 0.0021 0.0005 0.0017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Echinococcus granulosus geminin 0.0191 0.2373 0.8055
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0149 0.0505
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0298 0.0869
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.008 0.0825 0.2816
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0194 0.2421 0.8121
Mycobacterium ulcerans dehydrogenase 0.0021 0.0005 0.0061
Echinococcus granulosus chromobox protein 1 0.0075 0.076 0.2581
Schistosoma mansoni disulfide oxidoreductase 0.0021 0.0005 0.0005
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0021 0.0005 0.0017
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0526 0.7058 0.8959
Echinococcus multilocularis glutamate synthase 0.0021 0.0005 0.0017
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0021 0.0005 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0178 0.0178
Schistosoma mansoni chromobox protein 0.0075 0.076 0.076
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0241 0.0819
Echinococcus granulosus glutamate synthase 0.0021 0.0005 0.0017
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.115 0.3903
Trypanosoma brucei trypanothione reductase 0.0231 0.2931 1
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Loa Loa (eye worm) hypothetical protein 0.0032 0.0149 0.0499
Schistosoma mansoni hypothetical protein 0.0116 0.1328 0.1328
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0617 0.2071
Brugia malayi Pre-SET motif family protein 0.0034 0.0178 0.0597
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.008 0.0825 0.2803
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0021 0.0005 0.0021
Mycobacterium ulcerans hypothetical protein 0.0026 0.0079 0.0951
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1703 0.5778
Trypanosoma brucei hypothetical protein, conserved 0.0021 0.0005 0.0017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.008 0.0825 0.2816
Echinococcus multilocularis geminin 0.0191 0.2373 0.8055
Trypanosoma brucei RNA helicase, putative 0.0116 0.1328 0.4531
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0079 0.0268
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.008 0.0825 0.2768
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.008 0.0825 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Leishmania major hypothetical protein, conserved 0.0021 0.0005 0.0017
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0108 0.0369
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0021 0.0005 0.0006
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0021 0.0005 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0149 0.0491
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0021 0.0005 0.0006
Leishmania major hypothetical protein, conserved 0.0021 0.0005 0.0017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.008 0.0825 0.2816
Onchocerca volvulus 0.0267 0.3434 1
Plasmodium falciparum glutathione reductase 0.0231 0.2931 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Mycobacterium ulcerans NADH dehydrogenase 0.0021 0.0005 0.0061
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.008 0.0825 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.008 0.0825 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.008 0.0825 0.1047
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.008 0.0825 1
Schistosoma mansoni sulfide quinone reductase 0.0021 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0005 0.0017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.1052 0.3062
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0021 0.0005 0.0061
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0021 0.0005 0.0017
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0108 0.0369
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0108 0.0353
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0178 0.0604
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0021 0.0005 0.0017
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0321 0.109
Trichomonas vaginalis mercuric reductase, putative 0.008 0.0825 0.2403
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.076 0.2551
Loa Loa (eye worm) hypothetical protein 0.0042 0.0298 0.1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0021 0.0005 0.0017
Trichomonas vaginalis glutathione reductase, putative 0.008 0.0825 0.2403
Plasmodium vivax glutathione reductase, putative 0.0231 0.2931 1
Plasmodium falciparum thioredoxin reductase 0.008 0.0825 0.2803
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0079 0.0951
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.115 0.3903
Loa Loa (eye worm) hypothetical protein 0.0034 0.0178 0.0597
Loa Loa (eye worm) hypothetical protein 0.0033 0.0171 0.0573
Mycobacterium ulcerans hypothetical protein 0.0026 0.0079 0.0951
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0021 0.0005 0.0017
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0021 0.0005 0.0017
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0178 0.0604
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0021 0.0005 0.0061
Trichomonas vaginalis chromobox protein, putative 0.0075 0.076 0.2215
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0526 0.7058 0.8958
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0079 0.01
Mycobacterium tuberculosis Probable oxidoreductase 0.0585 0.7879 1
Plasmodium vivax thioredoxin reductase, putative 0.0231 0.2931 1
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0021 0.0005 0.0017
Echinococcus multilocularis chromobox protein 1 0.0075 0.076 0.2581
Toxoplasma gondii NADPH-glutathione reductase 0.008 0.0825 0.2803
Schistosoma mansoni glutamate synthase 0.0021 0.0005 0.0005
Entamoeba histolytica thioredoxin reductase, putative 0.0021 0.0005 0.0021
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.008 0.0825 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.008 0.0825 0.2816
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Loa Loa (eye worm) programmed cell death 8 0.0021 0.0005 0.0017
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0021 0.0005 0.0021
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0021 0.0005 0.0017
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0343 0.0999
Giardia lamblia Glutamate synthase 0.0021 0.0005 0.0021
Leishmania major hypothetical protein, conserved 0.023 0.292 0.9965
Schistosoma mansoni glutamate synthase 0.0021 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0191 0.2373 0.2373
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.008 0.0825 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0526 0.7058 0.8959
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0585 0.7879 1
Brugia malayi jmjC domain containing protein 0.0038 0.0241 0.081
Leishmania major hypothetical protein, conserved 0.0029 0.0108 0.0369
Trichomonas vaginalis chromobox protein, putative 0.0075 0.076 0.2215
Brugia malayi Thioredoxin reductase 0.0231 0.2931 0.9829
Schistosoma mansoni serine/threonine protein kinase 0.0194 0.2421 0.2421
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0241 0.0241
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.035 0.035
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0194 0.2421 0.8217
Giardia lamblia PHD finger protein 15 0.0032 0.0149 0.0614
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.008 0.0825 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0232 0.2947 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.008 0.0825 0.2816
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0194 0.2421 0.8262
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0021 0.0005 0.0017
Entamoeba histolytica serine/threonine protein kinase, putative 0.0194 0.2421 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0021 0.0005 0.0015
Mycobacterium ulcerans ferredoxin reductase 0.0021 0.0005 0.0061
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0241 0.0819
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0021 0.0005 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.292 0.9965
Brugia malayi hypothetical protein 0.0146 0.1755 0.5886
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0021 0.0005 0.0015
Mycobacterium tuberculosis Probable reductase 0.0526 0.7058 0.8959
Trypanosoma cruzi trypanothione reductase, putative 0.008 0.0825 0.2816
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0079 0.0268
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0059 0.0529 0.1774
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.2421 0.7052
Mycobacterium ulcerans hypothetical protein 0.0021 0.0005 0.0061
Brugia malayi glutamate synthase 0.0021 0.0005 0.0017
Onchocerca volvulus 0.0033 0.0171 0.0484
Giardia lamblia Kinase, PLK 0.0194 0.2421 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0021 0.0005 0.0017
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0021 0.0005 0.0061
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0021 0.0005 0.0017
Leishmania major hypothetical protein, conserved 0.0021 0.0005 0.0017
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0161 0.0546
Brugia malayi Heterochromatin protein 1 0.0075 0.076 0.2551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0178 0.0178
Leishmania major trypanothione reductase 0.0231 0.2931 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0526 0.7058 0.8959

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 2 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis 103471 ChEMBL. 18494459

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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