Detailed information for compound 1350480

Basic information

Technical information
  • TDR Targets ID: 1350480
  • Name: 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbon itrile
  • MW: 204.272 | Formula: C11H16N4
  • H donors: 1 H acceptors: 2 LogP: 2.46 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnn(c1N)CC1CCCCC1
  • InChi: 1S/C11H16N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h7,9H,1-5,8,13H2
  • InChiKey: XWANTEITKIFQDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-amino-1-(cyclohexylmethyl)-4-pyrazolecarbonitrile
  • SMR000104031
  • A1154/0054004
  • Oprea1_000878
  • MLS000108068
  • ZINC00051053

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
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0204 0.0246
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0111 0.1384 0.3079
Brugia malayi glutathione reductase 0.0321 0.4267 1
Entamoeba histolytica disulphide oxidoreductase, putative 0.003 0.0261 1
Treponema pallidum NADH oxidase 0.0111 0.1384 1
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.003 0.0261 0.0383
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.003 0.0261 0.0383
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.003 0.0261 0.1886
Echinococcus granulosus sulfide:quinone oxidoreductase 0.003 0.0261 0.0261
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0261 0.0612
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.003 0.0261 0.0612
Giardia lamblia Glutamate synthase 0.003 0.0261 0.1886
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0111 0.1384 0.3244
Trichomonas vaginalis mercuric reductase, putative 0.0111 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0271
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.003 0.0261 0.1886
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0528 0.0528
Chlamydia trachomatis thioredoxin reductase 0.003 0.0261 0.1886
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0111 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0271
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0082 0.0978 0.2293
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0321 0.4267 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0111 0.1384 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0204 0.1472
Loa Loa (eye worm) glutathione reductase 0.0321 0.4267 1
Treponema pallidum thioredoxin reductase (trxB) 0.003 0.0261 0.1886
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.003 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0271
Toxoplasma gondii NADPH-glutathione reductase 0.0111 0.1384 0.3244
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.003 0.0261 0.1886
Trichomonas vaginalis glutathione reductase, putative 0.0111 0.1384 1
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.003 0.0261 0.0612
Entamoeba histolytica glutamate synthase beta subunit, putative 0.003 0.0261 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0111 0.1384 0.3244
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0478
Schistosoma mansoni sulfide quinone reductase 0.003 0.0261 0.0261
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0111 0.1384 0.3079
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.003 0.0261 0.0612
Entamoeba histolytica glutamate synthase beta subunit, putative 0.003 0.0261 1
Mycobacterium ulcerans dehydrogenase 0.003 0.0261 0.1886
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.003 0.0261 0.0612
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.003 0.0261 0.0612
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.003 0.0261 0.0261
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0204 0.1472
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.003 0.0261 0.0261
Trichomonas vaginalis apoptosis inducing factor, putative 0.003 0.0261 0.1886
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.003 0.0261 0.0612
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.003 0.0261 0.1886
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0204 0.1472
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0111 0.1384 0.3244
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.003 0.0261 0.1886
Onchocerca volvulus 0.003 0.0261 1
Trichomonas vaginalis glutamate synthase, putative 0.003 0.0261 0.1886
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.003 0.0261 0.0612
Plasmodium vivax ferrodoxin reductase, putative 0.003 0.0261 0.0612
Plasmodium falciparum glutathione reductase 0.0321 0.4267 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.003 0.0261 0.0612
Trypanosoma cruzi NADH dehydrogenase, putative 0.003 0.0261 0.0612
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0082 0.0978 0.2293
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.003 0.0261 0.0612
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.2905
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0204 0.7806
Plasmodium falciparum ferrodoxin reductase-like protein 0.003 0.0261 0.0612
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.003 0.0261 0.0612
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.003 0.0261 0.0261
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.003 0.0261 0.0261
Plasmodium vivax thioredoxin reductase, putative 0.0321 0.4267 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0204 0.0478
Trypanosoma brucei hypothetical protein, conserved 0.003 0.0261 0.0612
Plasmodium vivax glutathione reductase, putative 0.0321 0.4267 1
Echinococcus multilocularis geminin 0.0181 0.2346 0.2346
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0111 0.1384 1
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.003 0.0261 0.1886
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0204 0.1472
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.003 0.0261 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0111 0.1384 0.3244
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.003 0.0261 0.0383
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0116 0.0271
Schistosoma mansoni microtubule-associated protein tau 0.0738 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0111 0.1384 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0204 0.0478
Leishmania major hypothetical protein, conserved 0.003 0.0261 0.0141
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0204 0.7806
Leishmania major trypanothione reductase 0.0321 0.4267 1
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.003 0.0261 0.0383
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.003 0.0261 0.0261
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Mycobacterium ulcerans hypothetical protein 0.003 0.0261 0.1886
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.003 0.0261 0.0612
Loa Loa (eye worm) thioredoxin reductase 0.0321 0.4267 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0528 0.1237
Mycobacterium tuberculosis Probable oxidoreductase 0.0111 0.1384 0.3079
Plasmodium falciparum thioredoxin reductase 0.0111 0.1384 0.3244
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0204 0.1472
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0528 0.0528
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0111 0.1384 0.3244
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.003 0.0261 0.0612
Trichomonas vaginalis glutamate synthase, putative 0.003 0.0261 0.1886
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0478
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0478
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0111 0.1384 0.3079
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0204 0.1472
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0116 0.0271
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.003 0.0261 0.0383
Schistosoma mansoni glutamate synthase 0.003 0.0261 0.0261
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.003 0.0261 0.1886
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.003 0.0261 0.0261
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.003 0.0261 0.1886
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.003 0.0261 0.1886
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0111 0.1384 0.1384
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0204 0.0478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0528 0.0528
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.2905
Leishmania major hypothetical protein, conserved 0.003 0.0261 0.0141
Leishmania major hypothetical protein, conserved 0.003 0.0261 0.0141
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.003 0.0261 0.0141
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.003 0.0261 0.0612
Mycobacterium ulcerans ferredoxin reductase 0.003 0.0261 0.1886
Schistosoma mansoni glutamate synthase 0.003 0.0261 0.0261
Trypanosoma cruzi trypanothione reductase, putative 0.0111 0.1384 0.3244
Mycobacterium tuberculosis Probable dehydrogenase 0.003 0.0261 0.0383
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0528 0.0528
Schistosoma mansoni glutamate synthase 0.003 0.0261 0.0261
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0111 0.1384 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.003 0.0261 0.0612
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.003 0.0261 0.1886
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.003 0.0261 0.0612
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0271
Loa Loa (eye worm) programmed cell death 8 0.003 0.0261 0.0612
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0111 0.1384 0.2905
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.003 0.0261 0.0141
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Schistosoma mansoni hypothetical protein 0.0181 0.2346 0.2346
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0111 0.1384 0.3244
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.003 0.0261 0.1886
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Echinococcus multilocularis microtubule associated protein 2 0.0738 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0204 0.0246
Schistosoma mansoni hypothetical protein 0.0181 0.2346 0.2346
Schistosoma mansoni disulfide oxidoreductase 0.003 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.003 0.0261 0.0612
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.003 0.0261 0.1886
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0116 0.0836
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.003 0.0261 0.0612
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0111 0.1384 0.3244
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0111 0.1384 0.1384
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.003 0.0261 0.0383
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.003 0.0261 0.0612
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0204 0.1472
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.003 0.0261 0.0612
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.003 0.0261 1
Mycobacterium ulcerans glutamate synthase subunit beta 0.003 0.0261 0.1886
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.003 0.0261 0.0261
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Brugia malayi glutamate synthase 0.003 0.0261 0.0612
Mycobacterium tuberculosis Probable reductase 0.003 0.0261 0.0383
Leishmania major NADH dehydrogenase, putative 0.003 0.0261 0.0141
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.003 0.0261 0.0612
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0528 0.0528
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.003 0.0261 0.1886
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.003 0.0261 0.1886
Mycobacterium tuberculosis Putative ferredoxin reductase 0.003 0.0261 0.0383
Plasmodium falciparum thioredoxin reductase 0.0321 0.4267 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0111 0.1384 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0116 0.0836
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0111 0.1384 0.3244
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.003 0.0261 0.0383
Schistosoma mansoni sulfide quinone reductase 0.003 0.0261 0.0261
Giardia lamblia NADH oxidase lateral transfer candidate 0.0111 0.1384 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.003 0.0261 0.0612
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.003 0.0261 0.0261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0528 0.0528
Echinococcus granulosus glutamate synthase 0.003 0.0261 0.0261
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0116 0.0034
Trypanosoma brucei trypanothione reductase 0.0321 0.4267 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0204 0.1472
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0111 0.1384 0.3244
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0111 0.1384 0.3244
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0204 0.1472
Trypanosoma brucei NADH dehydrogenase 0.003 0.0261 0.0612
Trypanosoma cruzi trypanothione reductase, putative 0.0321 0.4267 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.003 0.0261 0.0261
Toxoplasma gondii selenide, water dikinase 0.003 0.0261 0.0612
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.003 0.0261 0.0612
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.003 0.0261 0.1886
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.003 0.0261 0.0612
Brugia malayi Thioredoxin reductase 0.0321 0.4267 1
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.003 0.0261 0.0261
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0111 0.1384 0.3244
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.003 0.0261 0.1886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0528 0.0528
Schistosoma mansoni hypothetical protein 0.003 0.0261 0.0261
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.003 0.0261 0.0383
Echinococcus multilocularis thioredoxin glutathione reductase 0.0321 0.4267 0.4267
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.003 0.0261 0.0261
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.003 0.0261 0.1886
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0528 0.1237
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0111 0.1384 0.3244
Mycobacterium ulcerans monoxygenase 0.003 0.0261 0.1886
Treponema pallidum oxidoreductase 0.003 0.0261 0.1886
Echinococcus multilocularis glutamate synthase 0.003 0.0261 0.0261
Mycobacterium ulcerans hypothetical protein 0.0025 0.0204 0.1472
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0111 0.1384 0.1384
Toxoplasma gondii thioredoxin reductase 0.0321 0.4267 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.003 0.0261 0.1886
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.003 0.0261 0.0383
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.003 0.0261 0.0612
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Echinococcus granulosus geminin 0.0181 0.2346 0.2346
Echinococcus granulosus thioredoxin glutathione reductase 0.0321 0.4267 0.4267
Plasmodium falciparum glutathione reductase 0.0111 0.1384 0.3244
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0204 0.7806
Onchocerca volvulus 0.0025 0.0204 0.7806
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.003 0.0261 0.1886
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0111 0.1384 0.3244
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0261 0.0612
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Mycobacterium ulcerans NADH dehydrogenase 0.003 0.0261 0.1886
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.003 0.0261 0.1886
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0111 0.1384 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.003 0.0261 0.1886
Giardia lamblia Thioredoxin reductase 0.003 0.0261 0.1886
Entamoeba histolytica thioredoxin reductase, putative 0.003 0.0261 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0111 0.1384 0.2905

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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