Detailed information for compound 448818

Basic information

Technical information
  • TDR Targets ID: 448818
  • Name: N-benzyl-4-methylaniline
  • MW: 197.276 | Formula: C14H15N
  • H donors: 1 H acceptors: 0 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NCc1ccccc1
  • InChi: 1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
  • InChiKey: KEVOWRWHMCBERP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-benzyl-4-methyl-aniline
  • 4-methyl-N-(phenylmethyl)aniline
  • benzyl(p-tolyl)amine
  • N-benzyl-4-toluidine
  • benzyl-(4-methylphenyl)amine
  • 5405-15-2
  • MLS001033459
  • SMR000385588
  • EINECS 226-455-7
  • N-Benzyl-p-toluidine
  • NSC 8084
  • Oprea1_065186
  • Benzenemethanamine, N-(4-methylphenyl)-
  • N-Benzyl-N-(4-methylphenyl)amine
  • NSC8084
  • ZINC01586389

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei trypanothione reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis thioredoxin glutathione reductase 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
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related 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
Plasmodium falciparum glutathione 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione 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 infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin 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
Brugia malayi glutathione reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii thioredoxin reductase 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
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 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0221 0.0215
Entamoeba histolytica hypothetical protein 0.0037 0.0195 0.0672
Schistosoma mansoni zinc finger protein 0.002 0.0026 0.0026
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0195 0.0195
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0195 0.0367
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0394 0.0394
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0057 0.0057
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0021 0.0011
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0021 0.0003
Mycobacterium tuberculosis Conserved protein 0.0037 0.0195 0.0367
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0075 0.0109
Mycobacterium ulcerans lipase LipD 0.0037 0.0195 0.1494
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0075 0.0057
Loa Loa (eye worm) carbonic anhydrase 3 0.1018 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0338 0.0332
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0273 0.0255
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0195 0.0177
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.1579 0.5587
Echinococcus granulosus flap endonuclease 1 0.0025 0.0075 0.0075
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Echinococcus granulosus carbonic anhydrase 0.0539 0.5208 0.5208
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Brugia malayi RNA, U transporter 1 0.0174 0.156 0.1545
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0539 0.5208 0.52
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0394 0.0779
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0037 0.0195 0.0195
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0037 0.0031
Schistosoma mansoni hypothetical protein 0.0539 0.5208 0.5208
Brugia malayi beta-lactamase family protein 0.0037 0.0195 0.0177
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0021 0.0006
Brugia malayi Thioredoxin reductase 0.0057 0.0394 0.0376
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0196 0.0196
Plasmodium falciparum thioredoxin reductase 0.0057 0.0394 0.0724
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0273 0.6123
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0075 0.0068
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0021 1
Plasmodium falciparum carbonic anhydrase 0.0539 0.5208 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.1202 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0273 0.0273
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0273 0.0969
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0319 0.1128
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2335 0.233
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0442 0.0442
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0273 0.0267
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0195 0.0367
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.1674 0.6215
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0539 0.5208 0.52
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0021 0.0005
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0195 0.0367
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0273 0.0491
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0273 0.0491
Echinococcus granulosus carbonic anhydrase II 0.1018 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 0.0664
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Loa Loa (eye worm) hypothetical protein 0.0035 0.0175 0.0169
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1125 0.2295
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0184 0.0184
Trichomonas vaginalis ran, putative 0.0045 0.0273 0.0956
Loa Loa (eye worm) hypothetical protein 0.0061 0.0434 0.0428
Brugia malayi Flap endonuclease-1 0.0025 0.0075 0.0057
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0539 0.5208 0.52
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0075 0.0212
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1018 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0195 0.0367
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Schistosoma mansoni importin beta-1 0.0061 0.0434 0.0434
Loa Loa (eye worm) glutathione reductase 0.0057 0.0394 0.0388
Mycobacterium tuberculosis Probable reductase 0.013 0.1125 0.2295
Onchocerca volvulus Huntingtin homolog 0.0148 0.1302 0.4476
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0195 0.0195
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0539 0.5208 0.52
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0195 0.1494
Loa Loa (eye worm) hypothetical protein 0.0044 0.0265 0.0259
Leishmania major importin beta-1 subunit, putative 0.005 0.0319 0.0301
Loa Loa (eye worm) hypothetical protein 0.0539 0.5208 0.5205
Brugia malayi Pre-SET motif family protein 0.0036 0.0184 0.0166
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0273 0.0255
Plasmodium vivax SET domain protein, putative 0.0036 0.0184 0.3976
Trichomonas vaginalis importin beta-1, putative 0.005 0.0319 0.1128
Leishmania major trypanothione reductase 0.0057 0.0394 0.0376
Entamoeba histolytica hypothetical protein 0.0037 0.0195 0.0672
Toxoplasma gondii hypothetical protein 0.0539 0.5208 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0196 0.0196
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0021 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Echinococcus multilocularis carbonic anhydrase 0.0539 0.5208 0.5208
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0338 0.0332
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1125 0.2295
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0195 0.0367
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0319 0.0301
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.127 0.2596
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0195 0.0177
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1125 0.2295
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0338 0.032
Schistosoma mansoni carbonic anhydrase 0.0539 0.5208 0.5208
Trypanosoma brucei trypanothione reductase 0.0057 0.0394 0.0376
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Echinococcus multilocularis snurportin 1 0.0652 0.6344 0.6344
Brugia malayi Pre-SET motif family protein 0.0251 0.2335 0.2321
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0195 0.0189
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0184 0.0184
Schistosoma mansoni hypothetical protein 0.0652 0.6344 0.6344
Entamoeba histolytica Ran family GTPase 0.0045 0.0273 0.0969
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0239
Leishmania major GTP-binding protein, putative 0.0045 0.0273 0.0255
Echinococcus multilocularis carbonic anhydrase II 0.1018 1 1
Onchocerca volvulus 0.0286 0.2682 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0195 0.0195
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0021 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0394 0.0376
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0175 0.0157
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Brugia malayi Importin beta-1 subunit 0.0061 0.0434 0.0417
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0539 0.5208 0.5205
Mycobacterium tuberculosis Conserved protein 0.0037 0.0195 0.0367
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1018 1 1
Echinococcus multilocularis zinc finger protein 0.002 0.0026 0.0026
Plasmodium falciparum thioredoxin reductase 0.002 0.0021 0.0005
Plasmodium falciparum flap endonuclease 1 0.0025 0.0075 0.0109
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0075 0.0057
Schistosoma mansoni carbonic anhydrase-related 0.0539 0.5208 0.5208
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.127 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0021 0.0069
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0652 0.6344 0.6342
Toxoplasma gondii ABC1 family protein 0.0037 0.0195 0.0341
Brugia malayi Bromodomain containing protein 0.0078 0.0601 0.0583
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0268 0.25 0.2495
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0021 1
Schistosoma mansoni ap endonuclease 0.002 0.0018 0.0018
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0273 0.0255
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0195 0.0664
Trypanosoma brucei carbonic anhydrase-like protein 0.1018 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2198 0.4521
Schistosoma mansoni ap endonuclease 0.002 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0148 0.1302 0.1296
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0021 0.0005
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.127 0.2596
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0018 0.0018
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0195 0.0195
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0021 0.0024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0021 0.0003
Brugia malayi PHD-finger family protein 0.0026 0.0081 0.0063
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1125 0.2295
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0021 0.0003
Schistosoma mansoni flap endonuclease-1 0.0023 0.0051 0.0051
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.1202 0.2454
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Leishmania major hypothetical protein, conserved 0.0037 0.0195 0.0177
Mycobacterium ulcerans hypothetical protein 0.0037 0.0195 0.1494
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1018 1 1
Echinococcus granulosus zinc finger protein 0.002 0.0026 0.0026
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0195 0.0195
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0075 0.0057
Loa Loa (eye worm) hypothetical protein 0.0054 0.036 0.0354
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.036 0.036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1018 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0195 0.1494
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0195 0.0367
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0195 0.0367
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0442 0.0442
Echinococcus granulosus snurportin 1 0.0652 0.6344 0.6344
Plasmodium vivax glutathione reductase, putative 0.0057 0.0394 0.9035
Echinococcus granulosus carbonic anhydrase 0.0539 0.5208 0.5208
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0195 0.0195
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.1674 0.6215
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0037 0.0195 0.0189
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0075 0.0215
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0021 0.0003
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0394 0.0388
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 0.2645 1
Schistosoma mansoni carbonic anhydrase-related 0.0539 0.5208 0.5208
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0394 0.9035
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0075 0.0215
Brugia malayi beta-lactamase 0.0037 0.0195 0.0177
Echinococcus multilocularis carbonic anhydrase 0.0539 0.5208 0.5208
Onchocerca volvulus Huntingtin homolog 0.0148 0.1302 0.4476
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.2645 1
Entamoeba histolytica hypothetical protein 0.0037 0.0195 0.0672
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0021 0.0003
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0073 0.0556 0.055
Plasmodium vivax importin-beta 2, putative 0.0061 0.0434 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 0.0664
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0195 0.0195
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0021 0.0005
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0539 0.5208 0.5205
Treponema pallidum fructose-bisphosphate aldolase 0.0282 0.2645 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.017 0.017
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0434 0.0801
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.036 0.036
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2682 1
Mycobacterium tuberculosis Possible exported protein 0.0502 0.4841 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.1125 0.8649
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0273 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0021 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0338 0.032
Mycobacterium ulcerans beta-lactamase 0.0037 0.0195 0.1494
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0021 0.0003
Loa Loa (eye worm) beta-lactamase 0.0037 0.0195 0.0189
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0021 0.0021
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.127 0.2596
Brugia malayi hypothetical protein 0.0148 0.1302 0.1286
Loa Loa (eye worm) hypothetical protein 0.0539 0.5208 0.5205
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0021 0.0005
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0394 0.0394
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.1202 0.9363
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1125 0.2295
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0075 0.1359
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0273 0.0255
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0021 0.0003
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0021 0.0069
Plasmodium falciparum importin beta, putative 0.0061 0.0434 0.0801
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0021 0.0024
Schistosoma mansoni ran 0.0045 0.0273 0.0273
Onchocerca volvulus 0.0037 0.0195 0.0046
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1579 0.586
Schistosoma mansoni hypothetical protein 0.0035 0.0175 0.0175
Trichomonas vaginalis esterase, putative 0.0037 0.0195 0.0664
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 0.2645 1
Echinococcus multilocularis carbonic anhydrase 0.0539 0.5208 0.5208
Echinococcus granulosus carbonic anhydrase 0.0539 0.5208 0.5208
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0195 0.0664
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0434 0.0417
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1018 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0434 0.0417
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.036 0.036
Brugia malayi beta-lactamase family protein 0.0037 0.0195 0.0177
Schistosoma mansoni bromodomain containing protein 0.0066 0.0479 0.0479
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.25 0.9315
Brugia malayi Bromodomain containing protein 0.004 0.022 0.0202
Echinococcus granulosus importin subunit beta 1 0.0061 0.0434 0.0434
Entamoeba histolytica hypothetical protein 0.0037 0.0195 0.0672
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.036 0.036
Brugia malayi hypothetical protein 0.0037 0.0195 0.0177
Schistosoma mansoni carbonic anhydrase-related 0.0539 0.5208 0.5208
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0195 0.0177
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0018 0.0012
Plasmodium falciparum glutathione reductase 0.0057 0.0394 0.0724
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0018 0.0018
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0021 0.0003
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0319 0.1128
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0021 0.0011
Toxoplasma gondii thioredoxin reductase 0.0057 0.0394 0.0724
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0195 0.4252
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0195 0.0177
Brugia malayi glutathione reductase 0.0057 0.0394 0.0376
Mycobacterium tuberculosis Conserved protein 0.0037 0.0195 0.0367
Schistosoma mansoni ran 0.0045 0.0273 0.0273
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0021 0.0021
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1018 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0037 0.0037
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0268 0.25 0.2486
Loa Loa (eye worm) hypothetical protein 0.0148 0.1302 0.1296
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0195 0.0664
Entamoeba histolytica hypothetical protein 0.005 0.0319 0.1144
Treponema pallidum NADH oxidase 0.002 0.0021 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 0.2645 0.9861
Onchocerca volvulus 0.0037 0.0195 0.0046
Plasmodium falciparum glutathione reductase 0.002 0.0021 0.0005
Onchocerca volvulus 0.0037 0.0195 0.0046
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0184 0.0184
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Leishmania major carbonic anhydrase-like protein 0.1018 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0021 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0021 0.0003
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0539 0.5208 0.52
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0021 0.0024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0184 0.0319

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Growth inhibition of mouse L929 cells below 40 ug/mL after 5 days by MTT assay ChEMBL. 17870540
GI50 (functional) = 52400 nM Cytotoxicity against human PC3 cells after 5 days by MTT assay ChEMBL. 18316193
GI50 (functional) > 100000 nM Cytotoxicity against human LNCaP cells after 5 days by MTT assay ChEMBL. 18316193
IC50 (functional) > 40 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540
IC50 (functional) > 40 ug ml-1 Growth inhibition of mouse L929 cells after 5 days by MTT assay ChEMBL. 17870540
IC50 (binding) > 100 uM Inhibition of BCHE in Equus caballus (horse) serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method ChEMBL. No reference
IC50 (binding) > 100 uM Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method ChEMBL. No reference
Inhibition (binding) Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate at 10 mg/ml by TLC-B assay ChEMBL. No reference
Potency (functional) 5.0119 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 7.3753 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 (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.