Detailed information for compound 509455

Basic information

Technical information
  • TDR Targets ID: 509455
  • Name: 4-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine- 1-carbonyl]anilino]-4-oxobutanoic acid
  • MW: 411.29 | Formula: C18H23BrN2O4
  • H donors: 2 H acceptors: 4 LogP: 2.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1NC(=O)CCC(=O)O
  • InChi: 1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+
  • InChiKey: JSVSGWHGYIDZFX-TXEJJXNPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxo-butanoic acid
  • 4-[4-bromo-2-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]-oxomethyl]anilino]-4-oxobutanoic acid
  • 4-[[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-4-oxo-butanoic acid
  • 4-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-keto-butyric acid

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
Leishmania major hexokinase, putative 0.0079 0.2605 0.3264
Brugia malayi PHD-finger family protein 0.0029 0.0678 0.0678
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0215 0.7871 0.7871
Plasmodium falciparum glutathione reductase 0.0047 0.137 0.1673
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0481 0.0611
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Loa Loa (eye worm) hexokinase 0.0079 0.2605 0.2605
Echinococcus granulosus hexokinase 0.0079 0.2605 0.331
Loa Loa (eye worm) hypothetical protein 0.0149 0.5333 0.5333
Entamoeba histolytica hexokinase 2 0.0079 0.2605 0.8217
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.3171 0.3987
Trypanosoma brucei polo-like protein kinase 0.0093 0.3171 0.3987
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.3682 0.8837
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.00000000023397 0.00000000028576
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0054 0.0054
Plasmodium falciparum thioredoxin reductase 0.0016 0.019 0.0232
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.019 0.0174
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000073794
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0215 0.7871 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.321 0.4078
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Onchocerca volvulus Hexokinase homolog 0.0049 0.1472 0.2761
Trichomonas vaginalis chromobox protein, putative 0.0069 0.2224 0.2224
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.014 0.4989 0.4892
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.3171 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.137 0.1673
Echinococcus multilocularis hexokinase 0.0079 0.2605 0.331
Onchocerca volvulus 0.003 0.0733 0.1375
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0678 0.0828
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.019 0.0174
Loa Loa (eye worm) hypothetical protein 0.0054 0.1639 0.1639
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.019 0.0174
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000073794
Plasmodium vivax hypothetical protein, conserved 0.0011 0.00000000023397 0.00000000028576
Loa Loa (eye worm) glutaminase 0.027 1 1
Schistosoma mansoni kinase 0.0047 0.1397 0.1397
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.019 0.0174
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.00000000023397 0.00000000029727
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Brugia malayi MH2 domain containing protein 0.0118 0.4122 0.4122
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0938 0.0938
Leishmania major hexokinase, putative 0.0079 0.2605 0.3264
Loa Loa (eye worm) hexokinase 0.0024 0.0506 0.0506
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1169 0.2192
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.019 0.019
Toxoplasma gondii thioredoxin reductase 0.0047 0.137 0.1673
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.05 0.0635
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.05 0.0316
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0215 0.7871 0.7829
Giardia lamblia Kinase, PLK 0.0093 0.3171 0.3727
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0678 0.0861
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Mycobacterium tuberculosis Conserved protein 0.0024 0.05 0.0784
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.2224 0.2224
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.4142 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1056 0.1056
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.062 0.062
Echinococcus multilocularis geminin 0.0167 0.6033 0.7666
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.019 0.019
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Echinococcus granulosus bloom syndrome protein 0.0024 0.0481 0.0611
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1169 0.1169
Trypanosoma cruzi hexokinase, putative 0.0079 0.2605 0.3264
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.00000000023397 0.00000000023397
Schistosoma mansoni jumonji domain containing protein 0.0075 0.2461 0.2461
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0215 0.7871 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.019 0.0232
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0912 0.0912
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0678 0.0678
Toxoplasma gondii hexokinase 0.0079 0.2605 0.3182
Loa Loa (eye worm) hypothetical protein 0.0025 0.0531 0.0531
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0223 0.8188 0.8188
Brugia malayi hypothetical protein 0.0035 0.0938 0.0938
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.3171 0.4028
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.062 0.062
Trypanosoma cruzi hexokinase, putative 0.0079 0.2605 0.3264
Onchocerca volvulus 0.0149 0.5333 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0678 0.1271
Brugia malayi glucose-6-phosphate dehydrogenase 0.0215 0.7871 0.7871
Echinococcus granulosus hexokinase 0.0079 0.2605 0.331
Entamoeba histolytica hypothetical protein 0.0035 0.0938 0.2959
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.019 0.0232
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.3682 0.8837
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.019 0.0232
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.019 0.019
Brugia malayi glutathione reductase 0.0047 0.137 0.137
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.00000000023397 0.00000000029727
Brugia malayi hexokinase 0.0079 0.2605 0.2605
Schistosoma mansoni hypothetical protein 0.0167 0.6033 0.6033
Trypanosoma brucei hexokinase 0.0079 0.2605 0.3264
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0912 0.0912
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.3171 0.3987
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Echinococcus granulosus hexokinase 0.0079 0.2605 0.331
Giardia lamblia PHD finger protein 15 0.0029 0.0678 0.0609
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.00000000023397 0.00000000023397
Schistosoma mansoni hypothetical protein 0.0029 0.0678 0.0678
Echinococcus multilocularis hexokinase 0.0079 0.2605 0.331
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.3171 0.4028
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.00000000023397 0.00000000023397
Echinococcus multilocularis chromobox protein 1 0.0069 0.2224 0.2826
Mycobacterium tuberculosis Probable reductase 0.0106 0.3682 0.8837
Echinococcus multilocularis jumonji domain containing protein 0.004 0.1113 0.1415
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Echinococcus multilocularis Chromo domain 0.0011 0.00000000023397 0.00000000029727
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0215 0.7871 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0223 0.8188 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.135 0.135
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.05 0.0316
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0024 0.0024
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.00000000023397 0.00000000029727
Plasmodium falciparum glutathione reductase 0.0016 0.019 0.0232
Entamoeba histolytica hypothetical protein 0.0035 0.0938 0.2959
Onchocerca volvulus 0.0079 0.2605 0.4885
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.137 0.1683
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4122 0.4122
Loa Loa (eye worm) hypothetical protein 0.0049 0.1473 0.1473
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.4142 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.05 0.0316
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.019 0.0242
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Echinococcus multilocularis peregrin 0.0029 0.0678 0.0861
Loa Loa (eye worm) hexokinase type II 0.0079 0.2605 0.2605
Echinococcus granulosus peregrin 0.0029 0.0678 0.0861
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Schistosoma mansoni hypothetical protein 0.0011 0.00000000023397 0.00000000023397
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.019 0.0232
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0215 0.7871 1
Brugia malayi hypothetical protein 0.0149 0.5333 0.5333
Echinococcus granulosus geminin 0.0167 0.6033 0.7666
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0288 0.0288
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0223 0.8188 1
Echinococcus multilocularis hexokinase 0.0079 0.2605 0.331
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.019 0.0242
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0071 0.2317 0.2895
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Brugia malayi jmjC domain containing protein 0.0035 0.0912 0.0912
Brugia malayi chromobox protein homolog 3 0.0039 0.1056 0.1056
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.019 0.019
Schistosoma mansoni chromobox protein 0.0069 0.2224 0.2224
Echinococcus granulosus chromobox protein 1 0.0069 0.2224 0.2826
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0069 0.2237 0.2793
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0025 0.0531 0.0531
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0938 0.1192
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0223 0.8188 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000073794
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.019 0.0174
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.019 0.0174
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.05 0.057
Brugia malayi hexokinase type II 0.0025 0.0531 0.0531
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.3171 0.3987
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0215 0.7871 1
Trichomonas vaginalis glutaminase, putative 0.027 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0678 0.0678
Trichomonas vaginalis chromobox protein, putative 0.0069 0.2224 0.2224
Loa Loa (eye worm) hypothetical protein 0.0029 0.0678 0.0678
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.05 0.0784
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.019 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.019 0.0174
Plasmodium vivax hexokinase, putative 0.0079 0.2605 0.3182
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.3682 0.8837
Brugia malayi CHD4 protein 0.0011 0.00000000023397 0.00000000023397
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0912 0.1158
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.00000000023397 0.00000000028576
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0678 0.0828
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.019 0.0232
Treponema pallidum hexokinase (hxk) 0.0079 0.2605 0.3144
Schistosoma mansoni hypothetical protein 0.0167 0.6033 0.6033
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0912 0.1158
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0481 0.0481
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.00000000023397 0.00000000023397
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0054 0.0171
Echinococcus multilocularis hexokinase type 2 0.0079 0.2605 0.331
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0678 0.0828
Brugia malayi Thioredoxin reductase 0.0047 0.137 0.137
Entamoeba histolytica hexokinase 1 0.0079 0.2605 0.8217
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.05 0.057
Mycobacterium ulcerans glutaminase 0.027 1 1
Onchocerca volvulus 0.0049 0.1472 0.2761
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0215 0.7871 0.7871
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0223 0.8188 0.8188
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Loa Loa (eye worm) hexokinase 0.0079 0.2605 0.2605
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.3171 0.3171
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.137 0.174
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.3171 0.3171
Echinococcus granulosus chromobox protein 1 0.0069 0.2224 0.2826
Loa Loa (eye worm) hypothetical protein 0.0039 0.1056 0.1056
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.05 0.057
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.019 0.5
Mycobacterium ulcerans hypothetical protein 0.0024 0.05 0.0316
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0223 0.8188 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.0481 0.0481
Leishmania major hypothetical protein, conserved 0.021 0.7686 0.9763
Loa Loa (eye worm) glutaminase 2 0.027 1 1
Brugia malayi Hexokinase family protein 0.0079 0.2605 0.2605
Echinococcus multilocularis chromobox protein 1 0.0069 0.2224 0.2826
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0215 0.7871 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.00000000023397 0.00000000023397
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0678 0.0861
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.037 0.0452
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.019 0.0174
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1169 0.1169
Plasmodium vivax glutathione reductase, putative 0.0047 0.137 0.1673
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.05 0.0316
Onchocerca volvulus 0.0079 0.2605 0.4885
Schistosoma mansoni glutaminase 0.027 1 1
Trypanosoma brucei hexokinase 0.0079 0.2605 0.3264
Schistosoma mansoni hypothetical protein 0.0035 0.0938 0.0938
Plasmodium falciparum phd finger protein, putative 0.0029 0.0678 0.0828
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0481 0.0481
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0912 0.0912
Loa Loa (eye worm) hypothetical protein 0.0119 0.4177 0.4177
Loa Loa (eye worm) glutathione reductase 0.0047 0.137 0.137
Trypanosoma brucei trypanothione reductase 0.0047 0.137 0.1683
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.014 0.4989 0.6094
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0481 0.0481
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0223 0.8188 0.8188
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1056 0.1056
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1056 0.1979
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.3171 0.3171
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.3682 0.8837
Brugia malayi Hexokinase family protein 0.0024 0.0506 0.0506
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.00000000023397 0.00000000023397
Entamoeba histolytica hypothetical protein 0.0035 0.0938 0.2959
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.3171 0.3171
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.3682 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.4142 1
Brugia malayi Hexokinase family protein 0.0049 0.1472 0.1472
Echinococcus granulosus hexokinase type 2 0.0079 0.2605 0.331
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0074 0.2446 0.5709
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.137 0.174
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.7686 0.9763
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.321 0.4078
Echinococcus granulosus Chromo domain 0.0011 0.00000000023397 0.00000000029727
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.135 0.135
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0024 0.05 0.05
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0177 0.0216
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.00000000023397 0.00000000029727
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.019 0.0232
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.019 0.0174
Schistosoma mansoni hexokinase 0.0079 0.2605 0.2605
Brugia malayi Heterochromatin protein 1 0.0069 0.2224 0.2224
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.137 0.2985
Schistosoma mansoni chromobox protein 0.0069 0.2224 0.2224
Brugia malayi Bromodomain containing protein 0.0029 0.0678 0.0678
Entamoeba histolytica hypothetical protein 0.0035 0.0938 0.2959
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0184 0.0225
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.4142 1
Plasmodium falciparum hexokinase 0.0079 0.2605 0.3182
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.019 0.0174
Onchocerca volvulus 0.0079 0.2605 0.4885
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0215 0.7871 1
Leishmania major trypanothione reductase 0.0047 0.137 0.1683
Trypanosoma brucei hexokinase, putative 0.0079 0.2605 0.3264
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.05 0.0635
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1863 0.1863
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0938 0.1192
Entamoeba histolytica hypothetical protein 0.0011 0.00000000023397 0.00000000073794
Echinococcus granulosus jumonji domain containing protein 0.004 0.1113 0.1415
Loa Loa (eye worm) hexokinase 0.0049 0.1472 0.1472
Loa Loa (eye worm) hypothetical protein 0.003 0.0733 0.0733
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.3171 0.5945
Trypanosoma brucei hypothetical protein, conserved 0.021 0.7686 0.9763
Brugia malayi jmjC domain containing protein 0.0094 0.321 0.321
Plasmodium falciparum thioredoxin reductase 0.0047 0.137 0.1673
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4122 0.4122
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0024 0.0024
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.00000000023397 0.00000000023397
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.7686 0.9763

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 22.8 uM Antiviral activity against Hepatitis C virus by replicon assay ChEMBL. 18400495
IC50 (binding) = 1 uM Inhibition of HCV NS5b RNA polymerase assessed as [3H]UTP incorporation into RNA ChEMBL. 18400495
Kd (binding) = 0.31 uM Binding affinity to HCV NS5b RNA polymerase by SPR assay ChEMBL. 18400495

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

1 literature reference was collected for this gene.

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