Detailed information for compound 1373673

Basic information

Technical information
  • TDR Targets ID: 1373673
  • Name: N-(2-phenylethyl)-2H-1,2,4-triazole-3-carboxa mide
  • MW: 216.239 | Formula: C11H12N4O
  • H donors: 2 H acceptors: 3 LogP: 1.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1n[nH]cn1)NCCc1ccccc1
  • InChi: 1S/C11H12N4O/c16-11(10-13-8-14-15-10)12-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
  • InChiKey: SEEGOBWRKMYMGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000053138
  • N-(2-phenylethyl)-1H-1,2,4-triazole-3-carboxamide
  • SMR000069405
  • ZINC01229030

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus microtubule associated protein 2 0.0782 0.3934 0.6625
Leishmania major DNA polymerase eta, putative 0.0051 0.0145 0.0877
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0402 0.1023
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0044 0.0109 0.3273
Echinococcus multilocularis chromobox protein 1 0.0079 0.029 0.0737
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.0219 0.0369
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0075 0.027 0.1631
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0107 0.018
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0073 0.0458
Trichomonas vaginalis DNA helicase recq1, putative 0.0047 0.0124 0.0222
Leishmania major trypanothione reductase 0.0053 0.0159 0.096
Leishmania major DNA polymerase eta, putative 0.0036 0.0067 0.0405
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0028 0.0026 0.0794
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0.0219 0.1324
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0032 0.005 0.1518
Trichomonas vaginalis rotamase, putative 0.0037 0.0073 0.0131
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.0513 0.0916
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0055 0.0098
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0032 0.005 0.0969
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0067 0.2019
Brugia malayi phosphofructokinase 0.0123 0.0521 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0001 0.0001
Treponema pallidum hypothetical protein 0.036 0.1745 0.1745
Leishmania major mitochondrial DNA polymerase beta 0.0342 0.1655 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.0521 0.3144
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0844 0.4255 0.7657
Brugia malayi chromobox protein homolog 3 0.0044 0.0111 0.2129
Brugia malayi Heterochromatin protein 1 0.0079 0.029 0.557
Mycobacterium ulcerans hypothetical protein 0.0023 0.0001 0.0001
Mycobacterium ulcerans D-alanyl-D-alanine carboxypeptidase 0.0146 0.0637 0.0783
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0073 0.0442
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.0521 0.093
Giardia lamblia Fructose-bisphosphate aldolase 0.0331 0.1598 1
Brugia malayi 6-phosphofructokinase 0.0123 0.0521 1
Echinococcus granulosus chromobox protein 1 0.0079 0.029 0.0488
Onchocerca volvulus 0.01 0.0402 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0182 0.0826 0.1475
Toxoplasma gondii peptidylprolyl isomerase 0.0037 0.0073 0.2201
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.0521 0.3144
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0111 0.2742
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0038 0.0078 0.0941
Loa Loa (eye worm) hypothetical protein 0.0182 0.0826 1
Brugia malayi 6-phosphofructokinase 0.0123 0.0521 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.1103 0.5594 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0145 0.1758
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0697 0.349 0.628
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.036 0.1745 0.2145
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.0584 0.105
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0033 0.0055 0.0055
Brugia malayi glutathione reductase 0.0053 0.0159 0.3054
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.0521 0.6302
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0087 0.0332 0.0598
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.0521 0.3257
Treponema pallidum penicillin-binding protein (pbp-2) 0.1103 0.5594 0.5594
Schistosoma mansoni chromobox protein 0.0079 0.029 0.0737
Echinococcus granulosus bloom syndrome protein 0.0047 0.0124 0.0209
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0032 0.005 0.0128
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0402 0.1023
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0075 0.027 0.0686
Echinococcus multilocularis expressed protein 0.0422 0.2066 0.5252
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0055 0.1648
Schistosoma mansoni chromobox protein 0.0079 0.029 0.0737
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.0584 0.105
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0182 0.0826 0.1015
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0029 0.0035
Schistosoma mansoni DNA helicase recq5 0.0032 0.005 0.0128
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0132 0.0796
Mycobacterium tuberculosis Probable penicillin-binding protein DacB1 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t 0.0146 0.0637 0.1146
Plasmodium vivax glutathione reductase, putative 0.0053 0.0159 0.4783
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.029 0.351
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.1103 0.5594 0.6875
Loa Loa (eye worm) hypothetical protein 0.01 0.0402 0.4871
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0162 0.0721 0.1297
Mycobacterium ulcerans penicillin-binding protein DacC 0.0146 0.0637 0.0783
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.1096 0.5558 0.683
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0087 0.0332 1
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0697 0.349 0.6239
Echinococcus multilocularis 6 phosphofructokinase 0.0123 0.0521 0.1323
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0032 0.005 0.0611
Leishmania major ATP-dependent phosphofructokinase 0.0123 0.0521 0.3144
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0402 0.7729
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0386 0.188 0.3384
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0386 0.188 0.3361
Echinococcus multilocularis microtubule associated protein 2 0.0782 0.3934 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0219 0.4211
Trichomonas vaginalis rotamase, putative 0.0038 0.0078 0.0139
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Loa Loa (eye worm) phosphofructokinase 0.0123 0.0521 0.6302
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0065 0.0219 0.0394
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0075 0.027 0.3268
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0035 0.0066 0.0397
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0055 0.1648
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0055 0.0031
Chlamydia trachomatis endonuclease IV 0.0087 0.0332 0.0359
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0055 0.0343
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0075 0.027 0.1689
Trichomonas vaginalis chromobox protein, putative 0.0079 0.029 0.0518
Wolbachia endosymbiont of Brugia malayi D-alanyl-D-alanine carboxypeptidase 0.0146 0.0637 0.075
Echinococcus multilocularis dna polymerase eta 0.0051 0.0145 0.0369
Mycobacterium ulcerans epimerase 0.0023 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0032 0.005 0.0611
Schistosoma mansoni blooms syndrome DNA helicase 0.003 0.0038 0.0097
Loa Loa (eye worm) RecQ helicase 0.0047 0.0124 0.1501
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.0521 0.1323
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.0513 0.0924
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0044 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.1103 0.5594 1
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0087 0.0332 0.0593
Treponema pallidum penicillin-binding protein (pbp-1) 0.1663 0.8494 0.8494
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0145 0.0877
Mycobacterium ulcerans hypothetical protein 0.018 0.0816 0.1003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0186 0.1125
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.1096 0.5558 0.9935
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.0513 0.0924
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0159 0.0268
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0075 0.027 0.5186
Echinococcus granulosus 6 phosphofructokinase 0.0123 0.0521 0.0877
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0159 0.0286
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0107 0.0271
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0367 0.1782 0.3206
Chlamydia trachomatis transglycolase/transpeptidase 0.0776 0.3899 0.4572
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0162 0.0722 0.4358
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.0521 0.3257
Mycobacterium tuberculosis Probable penicillin-binding protein DacB2 (D-alanyl-D-alanine carboxypeptidase) (DD-peptidase) (DD-carboxypeptidase) (PBP) (DD-t 0.0146 0.0637 0.1146
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0123 0.0521 0.0521
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.036 0.1745 0.3141
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0067 0.0405
Loa Loa (eye worm) glutathione reductase 0.0053 0.0159 0.1925
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0111 0.0198
Plasmodium falciparum thioredoxin reductase 0.0053 0.0159 0.4783
Trichomonas vaginalis DNA helicase recq, putative 0.0035 0.0066 0.0117
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0331 0.1598 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0196 0.2379
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0128 0.3174
Chlamydia trachomatis transglycolase/transpeptidase 0.1663 0.8494 1
Treponema pallidum fructose-bisphosphate aldolase 0.0331 0.1598 0.1598
Chlamydia trachomatis D-alanine-D-alanine carboxypeptidase 0.0068 0.0236 0.0245
Loa Loa (eye worm) hypothetical protein 0.0023 0.0001 0.0009
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0029 0.0861
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.0219 0.0557
Schistosoma mansoni DNA polymerase eta 0.0051 0.0145 0.0369
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Echinococcus granulosus expressed protein 0.0038 0.0078 0.0131
Loa Loa (eye worm) hypothetical protein 0.0044 0.0111 0.1342
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0159 0.1925
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0032 0.005 0.0085
Onchocerca volvulus 0.0035 0.0061 0.1513
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.0584 0.1042
Echinococcus granulosus Solute carrier family 22 5 0.1169 0.5937 1
Treponema pallidum serine-type D-Ala-D-Ala carboxypeptidase (dacC) 0.0146 0.0637 0.0637
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.0219 0.0557
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0035 0.0066 0.0397
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0023 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0744
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0032 0.005 0.0128
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0023 0.0001 0.0001
Schistosoma mansoni DNA helicase recq1 0.0032 0.005 0.0128
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.0513 0.0924
Mycobacterium ulcerans 6-phosphofructokinase 0.0123 0.0521 0.064
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0844 0.4255 0.7606
Trichomonas vaginalis DNA helicase recq, putative 0.0047 0.0124 0.0222
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.0521 0.093
Mycobacterium leprae Probable D-alanyl-D-alanine carboxypeptidase DacB1 (PENICILLIN-BINDING PROTEIN) (DD-PEPTIDASE) (DD-CARBOXYPEPTIDASE) (PBP) (DD-T 0.0146 0.0637 0.1138
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0342 0.1655 1
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.0521 0.3257
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.036 0.1745 0.3119
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0029 0.0052
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.0513 0.0924
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0029 0.0035
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.005 0.1518
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.0584 0.105
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0032 0.005 0.0085
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0075 0.027 0.0455
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0844 0.4255 0.523
Schistosoma mansoni rotamase 0.0038 0.0078 0.0198
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0035 0.0066 0.0397
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.0145 0.279
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.0521 0.093
Mycobacterium ulcerans endonuclease IV 0.0087 0.0332 0.0408
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0132 0.0796
Mycobacterium tuberculosis Conserved hypothetical protein 0.018 0.0816 0.1469
Brugia malayi Thioredoxin reductase 0.0053 0.0159 0.3054
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0342 0.1655 1
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0055 0.1648
Toxoplasma gondii endonuclease IV APN 0.0087 0.0332 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.027 0.1631
Echinococcus granulosus dna polymerase eta 0.0051 0.0145 0.0245
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.0521 0.6302
Toxoplasma gondii hypothetical protein 0.0055 0.0168 0.5066
Mycobacterium tuberculosis Probable reductase 0.0122 0.0513 0.0924
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0029 0.0861
Trypanosoma brucei DNA polymerase eta, putative 0.0051 0.0145 0.0877
Giardia lamblia Sgs1 DNA helicase, putative 0.0032 0.005 0.0316
Toxoplasma gondii thioredoxin reductase 0.0053 0.0159 0.4783
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.0521 0.1323
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0402 0.0678
Echinococcus multilocularis chromobox protein 1 0.0079 0.029 0.0737
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0504
Mycobacterium leprae conserved hypothetical protein 0.0028 0.0029 0.005
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0055 0.0031
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0132 0.0796
Echinococcus multilocularis expressed protein 0.0038 0.0078 0.0198
Schistosoma mansoni microtubule-associated protein tau 0.0782 0.3934 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0032 0.005 0.0969
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.005 0.1518
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0132 0.0796
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0159 0.096
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0027 0.0023 0.0696
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0075 0.027 0.0686
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0029 0.0029
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0697 0.349 0.4289
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0123 0.0521 0.0929
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0055 0.1648
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.1096 0.5558 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0073 0.0442
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0029 0.0173
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0342 0.1655 1
Brugia malayi Bloom's syndrome protein homolog 0.0047 0.0124 0.2382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Plasmodium falciparum glutathione reductase 0.0053 0.0159 0.4783
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0128 0.0229
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0128 0.0229
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0037 0.0073 0.0442
Entamoeba histolytica recQ family helicase, putative 0.0035 0.0066 0.0411
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0055 0.1648
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0162 0.0721 0.1287
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0331 0.1598 1
Entamoeba histolytica hypothetical protein 0.0028 0.0029 0.0179
Echinococcus multilocularis bloom syndrome protein 0.0047 0.0124 0.0315
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0037 0.0073 0.0442
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0087 0.0332 0.6385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0055 0.0343
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0029 0.0173
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.0521 0.093
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0055 0.0098
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0162 0.0722 0.4358
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0078 0.0139
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0029 0.0861
Trichomonas vaginalis chromobox protein, putative 0.0079 0.029 0.0518
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.027 0.1631
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0167 0.0747 0.1345
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0044 0.0079
Loa Loa (eye worm) hypothetical protein 0.0087 0.0332 0.4024
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0055 0.1648
Echinococcus granulosus chromobox protein 1 0.0079 0.029 0.0488
Trypanosoma brucei trypanothione reductase 0.0053 0.0159 0.096
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0162 0.0722 0.4358
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0029 0.0034
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.027 0.1631
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0159 0.4783
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.0219 0.0269
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0087 0.0332 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0029 0.0861
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0055 0.1648
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0159 0.0404
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0123 0.0521 0.0937
Echinococcus granulosus expressed protein 0.0422 0.2066 0.3479
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1663 0.8494 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0162 0.0721 0.0886
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.0219 0.0269
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0111 0.0198
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0331 0.1598 0.2857
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.0513 0.0924
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1594 0.8137 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0038 0.0078 0.1494
Schistosoma mansoni d-amino acid oxidase 0.0182 0.0826 0.21

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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