Detailed information for compound 1521140

Basic information

Technical information
  • TDR Targets ID: 1521140
  • Name: 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)phe nyl]propanamide
  • MW: 275.389 | Formula: C16H25N3O
  • H donors: 1 H acceptors: 1 LogP: 2.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc(cc1)NC(=O)C(C)(C)C
  • InChi: 1S/C16H25N3O/c1-16(2,3)15(20)17-13-5-7-14(8-6-13)19-11-9-18(4)10-12-19/h5-8H,9-12H2,1-4H3,(H,17,20)
  • InChiKey: VGKLBBVJPYOFOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-dimethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]propanamide
  • 2,2-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propionamide
  • Oprea1_486778
  • BAS 06858299
  • ST062224
  • 2,2-Dimethyl-N-[4-(4-methyl-piperazin-1-yl)-phenyl]-propionamide
  • MLS000075984
  • SMR000013972

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii histone deacetylase HDAC3 0.0443 0.3592 1
Brugia malayi RNA binding protein 0.0069 0.045 0.0848
Echinococcus multilocularis transfer RNA-Lys 0.0046 0.0253 0.0335
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0036 0.5
Plasmodium falciparum histone deacetylase, putative 0.0328 0.2628 0.7288
Trypanosoma cruzi histone deacetylase, putative 0.0328 0.2628 0.7312
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0114
Schistosoma mansoni histone deacetylase hda2 0.0174 0.133 0.2478
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0036 0.0088
Brugia malayi bHLH-PAS transcription factor 0.0046 0.0253 0.0474
Echinococcus multilocularis aryl hydrocarbon receptor 0.0133 0.0988 0.1344
Loa Loa (eye worm) hypothetical protein 0.0133 0.0983 0.1865
Brugia malayi histone deacetylase 11 0.0174 0.133 0.2518
Leishmania major histone deacetylase, putative 0.0328 0.2628 0.7312
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0334 0.0617
Loa Loa (eye worm) histone deacetylase 0.0328 0.2628 0.4984
Echinococcus granulosus histone deacetylase 0.0328 0.2628 0.4976
Schistosoma mansoni histone deacetylase 0.0443 0.3592 0.6794
Echinococcus multilocularis histone deacetylase 8 0.0174 0.133 0.1813
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0031 0.0053
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0349 0.0647
Entamoeba histolytica histone deacetylase, putative 0.0443 0.3592 0.4521
Echinococcus multilocularis histone deacetylase 6 0.0334 0.2679 0.3664
Leishmania major histone deacetylase, putative 0.0443 0.3592 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0349 0.0881
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0278 0.2206 0.2346
Loa Loa (eye worm) glutamate receptor 0.0039 0.0201 0.0382
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.0147 0.0264
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0085 0.0583 0.1539
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0085 0.0583 0.1539
Loa Loa (eye worm) hypothetical protein 0.0197 0.1523 0.2889
Brugia malayi carbohydrate phosphorylase 0.0643 0.5273 1
Plasmodium vivax histone deacetylase 1, putative 0.0443 0.3592 1
Schistosoma mansoni histone deacetylase hda2 0.0334 0.2679 0.5052
Toxoplasma gondii histone deacetylase HDAC4 0.0174 0.133 0.364
Plasmodium vivax histone deacetylase, putative 0.0328 0.2628 0.7288
Loa Loa (eye worm) histone deacetylase 1 0.0443 0.3592 0.6813
Echinococcus granulosus geminin 0.0166 0.126 0.2378
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0008
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0349 0.0662
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0964 0.1003
Loa Loa (eye worm) hypothetical protein 0.0117 0.0849 0.161
Echinococcus granulosus single minded 2 0.0046 0.0253 0.0464
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.045 0.0848
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0036 0.0088
Loa Loa (eye worm) TAR-binding protein 0.0069 0.045 0.0853
Plasmodium vivax hypothetical protein, conserved 0.0085 0.0583 0.1539
Echinococcus multilocularis histone deacetylase 6 0.0328 0.2628 0.3594
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1206 1 1
Trypanosoma brucei histone deacetylase 3 0.0328 0.2628 0.7288
Brugia malayi Metabotropic glutamate receptor precursor. 0.0039 0.0201 0.0376
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1121 0.9287 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0036 0.0088
Echinococcus multilocularis protoporphyrinogen oxidase 0.0085 0.0583 0.0788
Mycobacterium tuberculosis Probable reductase 0.013 0.0964 0.1003
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Brugia malayi hypothetical protein 0.0085 0.0583 0.11
Plasmodium vivax hypothetical protein, conserved 0.0085 0.0583 0.1539
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0036 0.006
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0964 0.8871
Plasmodium falciparum glutathione reductase 0.0057 0.0349 0.0881
Mycobacterium ulcerans monoamine oxidase 0.0085 0.0583 0.0549
Mycobacterium ulcerans oxidoreductase 0.0085 0.0583 0.0549
Echinococcus multilocularis glycogen phosphorylase 0.0643 0.5273 0.7222
Brugia malayi glutaminase DH11.1 0.033 0.2643 0.5009
Echinococcus multilocularis histone deacetylase 6 0.0328 0.2628 0.3594
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.017 0.0317
Brugia malayi histone deacetylase 3 (HD3) 0.0443 0.3592 0.6811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0334 0.0446
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0036 0.0088
Loa Loa (eye worm) hypothetical protein 0.0443 0.3592 0.6813
Echinococcus granulosus tar DNA binding protein 0.0069 0.045 0.0838
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0278 0.2206 0.2178
Trichomonas vaginalis glycogen phosphorylase, putative 0.0643 0.5273 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.0583 0.1091
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0443 0.3592 0.681
Loa Loa (eye worm) hypothetical protein 0.0049 0.0278 0.0527
Echinococcus multilocularis histone deacetylase 7 0.0328 0.2628 0.3594
Loa Loa (eye worm) RNA binding protein 0.0069 0.045 0.0853
Trypanosoma cruzi histone deacetylase, putative 0.0174 0.133 0.3696
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0076 0.0114
Echinococcus granulosus histone deacetylase 7 0.0328 0.2628 0.4976
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0147 0.0222
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Trypanosoma brucei histone deacetylase 2 0.0174 0.133 0.364
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0334 0.0617
Echinococcus granulosus histone deacetylase 6 0.0328 0.2628 0.4976
Loa Loa (eye worm) hypothetical protein 0.0161 0.1219 0.2312
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0036 0.0088
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.0583 0.1613
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0964 0.1003
Schistosoma mansoni histone deacetylase 4 5 0.0328 0.2628 0.4954
Onchocerca volvulus Glycogen phosphorylase homolog 0.0643 0.5273 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0085 0.0583 0.1053
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0334 0.0627
Trypanosoma cruzi histone deacetylase 1, putative 0.0443 0.3592 1
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Schistosoma mansoni glycogen phosphorylase 0.0643 0.5273 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0197 0.1523 0.2524
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0076 0.0114
Schistosoma mansoni amine oxidase 0.0085 0.0583 0.1053
Brugia malayi hypothetical protein 0.0016 0.0004 0.0002
Schistosoma mansoni glutaminase 0.033 0.2643 0.4982
Echinococcus multilocularis histone deacetylase 1 0.0443 0.3592 0.4917
Trypanosoma cruzi histone deacetylase, putative 0.0328 0.2628 0.7312
Loa Loa (eye worm) hypothetical protein 0.0174 0.133 0.2523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0577
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1086 0.1135
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0145
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0036 0.5
Trypanosoma brucei histone deacetylase 4 0.0328 0.2628 0.7288
Mycobacterium tuberculosis Conserved hypothetical protein 0.0085 0.0583 0.0592
Loa Loa (eye worm) glutaminase 0.033 0.2643 0.5012
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0117 0.0849 0.1605
Schistosoma mansoni tar DNA-binding protein 0.0069 0.045 0.0798
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0202
Chlamydia trachomatis glycogen phosphorylase 0.0643 0.5273 1
Echinococcus multilocularis glycogen phosphorylase 0.0643 0.5273 0.7222
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.0583 0.1091
Loa Loa (eye worm) histone deacetylase 11 0.0174 0.133 0.2523
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0085 0.0583 0.1539
Mycobacterium ulcerans glutaminase 0.033 0.2643 0.2616
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Toxoplasma gondii histone lysine-specific demethylase 0.0085 0.0583 0.1539
Leishmania major protein kinase, putative 0.002 0.004 0.0099
Loa Loa (eye worm) glutathione reductase 0.0057 0.0349 0.0662
Schistosoma mansoni glycogen phosphorylase 0.0643 0.5273 1
Brugia malayi TAR-binding protein 0.0069 0.045 0.0848
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.0147 0.0191
Schistosoma mansoni histone deacetylase 4 5 0.0328 0.2628 0.4954
Mycobacterium ulcerans dehydrogenase 0.0085 0.0583 0.0549
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0076 0.0114
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.0202
Brugia malayi PAS domain containing protein 0.0062 0.0387 0.0729
Echinococcus granulosus Glycosyl transferase family 35 0.0643 0.5273 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0577
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0036 0.0052
Plasmodium vivax histone deacetylase 2, putative 0.0328 0.2628 0.7288
Echinococcus multilocularis histone deacetylase 0.0328 0.2628 0.3594
Leishmania major UDP-galactopyranose mutase 0.0085 0.0583 0.1613
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Toxoplasma gondii histone deacetylase HDAC2 0.0443 0.3592 1
Plasmodium vivax histone deacetylase, putative 0.0174 0.133 0.364
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0278 0.0512
Echinococcus granulosus histone deacetylase 6 0.0334 0.2679 0.5074
Leishmania major histone deacetylase, putative 0.0328 0.2628 0.7312
Echinococcus granulosus histone deacetylase 8 0.0174 0.133 0.2511
Entamoeba histolytica glycogen phosphorylase, putative 0.0643 0.5273 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0334 0.0446
Loa Loa (eye worm) histone deacetylase 3 0.0443 0.3592 0.6813
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0964 0.1003
Treponema pallidum NADH oxidase 0.002 0.0036 0.5
Giardia lamblia Histone deacetylase 0.0443 0.3592 0.6791
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0036 0.0009
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0964 0.1003
Plasmodium falciparum thioredoxin reductase 0.0057 0.0349 0.0881
Trypanosoma cruzi histone deacetylase, putative 0.0174 0.133 0.3696
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0085 0.0583 0.1053
Toxoplasma gondii thioredoxin reductase 0.0057 0.0349 0.0881
Echinococcus granulosus glycogen phosphorylase 0.0643 0.5273 1
Leishmania major histone deacetylase, putative 0.0443 0.3592 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0247 0.0411
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1086 0.1135
Brugia malayi SWIRM domain containing protein 0.0085 0.0583 0.11
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Brugia malayi Thioredoxin reductase 0.0057 0.0349 0.0657
Leishmania major trypanothione reductase 0.0057 0.0349 0.0962
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0017 0.0009 0.0016
Schistosoma mansoni glycogen phosphorylase 0.0278 0.2206 0.4148
Toxoplasma gondii histone deacetylase HDAC1 0.0328 0.2628 0.7288
Brugia malayi Histone deacetylase 1 0.0443 0.3592 0.6811
Loa Loa (eye worm) glutaminase 2 0.033 0.2643 0.5012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.045 0.0853
Brugia malayi hypothetical protein 0.0025 0.0076 0.0139
Echinococcus granulosus glycogen phosphorylase 0.0643 0.5273 1
Onchocerca volvulus 0.0133 0.0983 0.1448
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0278 0.037
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0085 0.0583 0.0549
Brugia malayi glutathione reductase 0.0057 0.0349 0.0657
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0334 0.0577
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0884 0.7297 1
Onchocerca volvulus 0.0085 0.0583 0.065
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Loa Loa (eye worm) glycogen phosphorylase 0.0643 0.5273 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.045 0.0798
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1086 0.1135
Trypanosoma brucei histone deacetylase 1 0.0443 0.3592 1
Echinococcus granulosus histone deacetylase 3 0.0443 0.3592 0.6808
Brugia malayi histone deacetylase 1 (HD1) 0.0443 0.3592 0.6811
Schistosoma mansoni aryl hydrocarbon receptor 0.0179 0.1371 0.2556
Schistosoma mansoni histone deacetylase 1 2 3 0.0174 0.133 0.2478
Giardia lamblia Glycogen phosphorylase 0.0643 0.5273 1
Echinococcus multilocularis histone deacetylase 3 0.0443 0.3592 0.4917
Brugia malayi N-terminal motif family protein 0.0197 0.1523 0.2884
Schistosoma mansoni tar DNA-binding protein 0.0069 0.045 0.0798
Schistosoma mansoni tar DNA-binding protein 0.0069 0.045 0.0798
Trichomonas vaginalis glutaminase, putative 0.033 0.2643 0.5008
Schistosoma mansoni amine oxidase 0.0085 0.0583 0.1053
Trypanosoma cruzi histone deacetylase, putative 0.0328 0.2628 0.7312
Echinococcus granulosus aryl hydrocarbon receptor 0.0133 0.0988 0.186
Schistosoma mansoni hypothetical protein 0.0166 0.126 0.2345
Brugia malayi Histone deacetylase family protein 0.0328 0.2628 0.4981
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0036 0.0037
Mycobacterium tuberculosis Possible oxidoreductase 0.0085 0.0583 0.0592
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.0583 0.1613
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0085 0.0583 0.5351
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0443 0.3592 0.681
Brugia malayi amine oxidase, flavin-containing family protein 0.0085 0.0583 0.11
Plasmodium falciparum protoporphyrinogen oxidase 0.0085 0.0583 0.1539
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0085 0.0583 0.1539
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1086 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.045 0.0605
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0349 0.0962
Schistosoma mansoni single-minded 0.0062 0.0387 0.0679
Schistosoma mansoni tar DNA-binding protein 0.0069 0.045 0.0798
Entamoeba histolytica glycogen phosphorylase, putative 0.0643 0.5273 1
Echinococcus multilocularis 0.0085 0.0583 0.0788
Loa Loa (eye worm) hypothetical protein 0.0117 0.0853 0.1618
Leishmania major hypothetical protein, conserved 0.0025 0.0076 0.0202
Loa Loa (eye worm) histone deacetylase 7A 0.0328 0.2628 0.4984
Loa Loa (eye worm) hypothetical protein 0.0154 0.1167 0.2213
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0443 0.3592 0.681
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0036 0.006
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0964 0.1003
Plasmodium falciparum histone deacetylase 2 0.0328 0.2628 0.7288
Trichomonas vaginalis glycogen phosphorylase, putative 0.0643 0.5273 1
Schistosoma mansoni histone deacetylase 0.0443 0.3592 0.6794
Schistosoma mansoni hypothetical protein 0.0166 0.126 0.2345
Echinococcus granulosus histone deacetylase 1 0.0443 0.3592 0.6808
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Mycobacterium ulcerans putative regulatory protein 0.0046 0.0253 0.0218
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0085 0.0583 0.0788
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0036 0.0062
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Chlamydia trachomatis protoporphyrinogen oxidase 0.0085 0.0583 0.1099
Brugia malayi Histone deacetylase family protein 0.0328 0.2628 0.4981
Trypanosoma brucei histone deacetylase, putative 0.0328 0.2628 0.7288
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0334 0.0633
Trypanosoma cruzi histone deacetylase 1, putative 0.0443 0.3592 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Echinococcus multilocularis Glycosyl transferase, family 35 0.0643 0.5273 0.7222
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0085 0.0583 0.1539
Onchocerca volvulus Histone deacetylase 10 homolog 0.0174 0.133 0.2139
Toxoplasma gondii histone deacetylase HDAC5 0.0174 0.133 0.364
Echinococcus multilocularis geminin 0.0166 0.126 0.1717
Echinococcus granulosus histone deacetylase 6 0.0328 0.2628 0.4976
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0349 0.0339
Loa Loa (eye worm) hypothetical protein 0.0085 0.0583 0.1106
Plasmodium falciparum histone deacetylase 1 0.0443 0.3592 1
Trichomonas vaginalis histone deacetylase, putative 0.0443 0.3592 0.681
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0349 0.0467
Trypanosoma brucei trypanothione reductase 0.0057 0.0349 0.0881
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0036 0.006
Plasmodium vivax glutathione reductase, putative 0.0057 0.0349 0.0881
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0036 0.0088

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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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