Detailed information for compound 1018196

Basic information

Technical information
  • TDR Targets ID: 1018196
  • Name: 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2- amine
  • MW: 292.163 | Formula: C14H11Cl2N3
  • H donors: 1 H acceptors: 1 LogP: 3.94 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)Cn1c(N)nc2c1cccc2
  • InChi: 1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
  • InChiKey: JBNABAJVIVYIDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(3,4-dichlorophenyl)methyl]-2-benzimidazolamine
  • [1-(3,4-dichlorobenzyl)benzimidazol-2-yl]amine
  • 1-(3,4-Dichloro-benzyl)-1H-benzoimidazol-2-ylamine
  • IDI1_033268
  • TimTec1_007614
  • BAS 03791299
  • STK259237
  • MLS001205621
  • SMR000518879
  • Oprea1_408694

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Trypanosoma brucei pteridine reductase 1 Starlite/ChEMBL References
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana pteridine reductase 1 Get druggable targets OG5_133937 All targets in OG5_133937
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase pteridine reductase 1 268 aa 267 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0195 0.0181
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0669 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0188 0.0146
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0114
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.3438 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0188 0.032
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0195 0.0262
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0194 0.0261
Trypanosoma brucei unspecified product 0.0019 0.0188 0.0173
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.3438 0.3447
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Leishmania major DNA polymerase kappa, putative 0.0019 0.0188 0.011
Brugia malayi intermediate filament protein 0.0027 0.0411 0.0484
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0081 0.0035
Echinococcus granulosus tar DNA binding protein 0.0072 0.1727 0.1715
Loa Loa (eye worm) RNA binding protein 0.0072 0.1727 0.2325
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3438 0.4569
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0669 0.175
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0188 0.0253
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1727 0.1659
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3438 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0188 0.0174
Schistosoma mansoni hypothetical protein 0.0041 0.0833 0.0758
Echinococcus multilocularis tar DNA binding protein 0.0072 0.1727 0.1715
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0833 0.1055
Brugia malayi 6-phosphofructokinase 0.0131 0.3438 0.4588
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.1727 0.2268
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3438 0.4569
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0935 0.1193
Echinococcus granulosus GPCR family 2 0.0019 0.0194 0.018
Schistosoma mansoni hypothetical protein 0.0358 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0114
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0188 0.0174
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0188 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0195 0.034
Loa Loa (eye worm) glutaminase 2 0.0269 0.7428 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0935 0.0922
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0935 0.0922
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0194 0.018
Loa Loa (eye worm) hypothetical protein 0.0041 0.0833 0.1121
Echinococcus granulosus intermediate filament protein 0.0027 0.0411 0.0398
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0019
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.1727 0.2325
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0194 0.018
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0188 0.0174
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0015 0.0081 0.0067
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.3438 0.3384
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0188 0.011
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0188 0.032
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0188 0.0173
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0015 0.0081 0.0067
Loa Loa (eye worm) TAR-binding protein 0.0072 0.1727 0.2325
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0188 0.0173
Echinococcus granulosus dna polymerase eta 0.0019 0.0188 0.0174
Loa Loa (eye worm) hypothetical protein 0.0027 0.0411 0.0554
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3438 0.4569
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0188 0.0146
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.3438 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0188 0.0146
Schistosoma mansoni glutaminase 0.0269 0.7428 0.7407
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3438 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0081 0.0035
Schistosoma mansoni lamin 0.0027 0.0411 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0861
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.3438 0.3384
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1727 0.1659
Trypanosoma brucei pteridine reductase 1 0.0352 0.9819 1
Onchocerca volvulus 0.0027 0.0411 1
Echinococcus multilocularis geminin 0.0358 1 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.3438 0.4569
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3438 0.4569
Echinococcus multilocularis musashi 0.0027 0.0411 0.0398
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1727 0.1659
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0194 0.018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0935 0.0922
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0195 0.034
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.3438 0.3429
Echinococcus multilocularis lamin 0.0027 0.0411 0.0398
Leishmania major DNA polymerase eta, putative 0.0019 0.0188 0.011
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0188 0.0181
Loa Loa (eye worm) glutaminase 0.0269 0.7428 1
Schistosoma mansoni hypothetical protein 0.0358 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0935 0.1258
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0188 0.0181
Leishmania major pteridine reductase 1 0.0352 0.9819 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.3438 0.4628
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0195 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0195 0.0179
Loa Loa (eye worm) hypothetical protein 0.0026 0.0397 0.0535
Mycobacterium ulcerans glutaminase 0.0269 0.7428 1
Brugia malayi MH2 domain containing protein 0.0136 0.357 0.4767
Onchocerca volvulus 0.0027 0.0411 1
Brugia malayi phosphofructokinase 0.0131 0.3438 0.4588
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0411 0.0484
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0195 0.0179
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.3438 0.3488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0935 0.0922
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0188 0.0173
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0669 1
Echinococcus granulosus lamin dm0 0.0027 0.0411 0.0398
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0411 0.0554
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.357 0.4806
Trypanosoma brucei oxidoreductase-like protein 0.0015 0.0081 0.0063
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0195 0.0117
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0188 0.032
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0015 0.0081 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0015 0.0081 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0195 0.1941
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0935 0.0861
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0669 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0188 0.032
Trichomonas vaginalis glutaminase, putative 0.0269 0.7428 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0194 0.0261
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0194 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0188 0.032
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0109
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0669 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1384 0.1802
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0195 0.0115
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Brugia malayi 6-phosphofructokinase 0.0131 0.3438 0.4588
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0188 0.0108
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0195 0.019
Echinococcus multilocularis GPCR, family 2 0.0019 0.0194 0.018
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0188 0.0174
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0195 0.0181
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.3438 0.4628
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0669 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0195 0.019
Echinococcus granulosus lamin 0.0027 0.0411 0.0398
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1727 0.1659
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0015 0.0081 0.0063
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.357 0.4806
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0188 0.032
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0194 0.0189
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1384 0.1863
Loa Loa (eye worm) oxidoreductase 0.0015 0.0081 0.0109
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0188 0.0108
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3438 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0411 0.0333
Schistosoma mansoni lamin 0.0027 0.0411 0.0333
Brugia malayi glutaminase DH11.1 0.0269 0.7428 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1384 0.1863
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0669 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1727 0.1659
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.3438 0.3429
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0195 0.1941
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0669 0.08
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0195 0.0181
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0188 0.0173
Echinococcus multilocularis dna polymerase eta 0.0019 0.0188 0.0174
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0669 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0015 0.0081 0.5
Brugia malayi TAR-binding protein 0.0072 0.1727 0.2268
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0188 0.0253
Schistosoma mansoni DNA polymerase eta 0.0019 0.0188 0.0108
Echinococcus multilocularis lamin dm0 0.0027 0.0411 0.0398
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0195 0.1941
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0195 0.034
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0114
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.3438 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0411 0.0554
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0669 0.08
Loa Loa (eye worm) retinol dehydrogenase 12 0.0015 0.0081 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0195 0.1941
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0669 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0194 0.018
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0195 0.0181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0188 0.032
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0669 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1384 0.1802
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0188 0.032
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0055 0.0074
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Loa Loa (eye worm) phosphofructokinase 0.0131 0.3438 0.4628
Schistosoma mansoni hypothetical protein 0.0019 0.0194 0.0114
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0188 0.0173
Brugia malayi RNA binding protein 0.0072 0.1727 0.2268
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0195 0.0181
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.3438 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 2.82 uM PubChem BioAssay. Mammalian cell toxicity in A549 cells Measured in Cell-Based System Using Plate Reader - 2149-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Inhibition (binding) Inhibition of human DHFR-mediated reduction of cytochrome c at upto 30 uM ChEMBL. 19527033
Ki (binding) = 0.4 uM Apparent inhibition of Trypanosoma brucei pteridine reductase 1-mediated reduction of cytochrome c ChEMBL. 19527033
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.6891 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) 13.4591 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (binding) = 28.1838 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) 30.1313 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.