Detailed information for compound 625557

Basic information

Technical information
  • TDR Targets ID: 625557
  • Name: 3-[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroim idazol-2-yl]sulfanylmethyl]pyridine
  • MW: 363.454 | Formula: C16H17N3O3S2
  • H donors: 0 H acceptors: 3 LogP: 1.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccnc1
  • InChi: 1S/C16H17N3O3S2/c1-22-14-4-6-15(7-5-14)24(20,21)19-10-9-18-16(19)23-12-13-3-2-8-17-11-13/h2-8,11H,9-10,12H2,1H3
  • InChiKey: RWAFOPJEVUGHSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[[1-(4-methoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]thio]methyl]pyridine
  • MLS000680092
  • SMR000324714

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0036 0.0144 0.118
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0144 0.0173
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0214 0.0605
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.058 0.058
Loa Loa (eye worm) fli-1 protein 0.0214 0.239 0.7263
Mycobacterium ulcerans hypothetical protein 0.016 0.1714 0.4036
Schistosoma mansoni intermediate filament proteins 0.0027 0.0029 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0838 0.1008
Brugia malayi hypothetical protein 0.0121 0.1223 0.3715
Trichomonas vaginalis hypothetical protein 0.0361 0.4247 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0426 0.0512
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0199 0.0606
Schistosoma mansoni ets-related 0.0214 0.239 0.2874
Entamoeba histolytica hypothetical protein 0.0071 0.0591 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0231 0.0655
Echinococcus multilocularis musashi 0.0027 0.0029 0.0029
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0231 0.0655
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.3531 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0616 0.074
Mycobacterium ulcerans hypothetical protein 0.0036 0.0144 0.034
Echinococcus granulosus chromobox protein 1 0.007 0.0577 0.0694
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0144 0.034
Loa Loa (eye worm) pyruvate kinase 0.004 0.0199 0.0606
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0577 0.1754
Toxoplasma gondii ABC1 family protein 0.0036 0.0144 0.034
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0179 0.3025
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.1499 0.4554
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0199 0.0469
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0214 0.0605
Schistosoma mansoni hypothetical protein 0.0339 0.3963 0.4766
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0223 0.0268
Loa Loa (eye worm) hypothetical protein 0.0121 0.1223 0.3715
Loa Loa (eye worm) pyruvate kinase 0.004 0.0199 0.0606
Onchocerca volvulus 0.0058 0.0426 0.3482
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0223 0.0428
Loa Loa (eye worm) pyruvate kinase 0.004 0.0199 0.0606
Onchocerca volvulus Huntingtin homolog 0.0121 0.1223 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0144 0.034
Brugia malayi Augmenter of liver regeneration 0.0041 0.0214 0.0649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0838 0.1008
Onchocerca volvulus 0.0036 0.0144 0.118
Echinococcus multilocularis pyruvate kinase 0.0032 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0034 0.0117 0.0357
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0144 0.0438
Schistosoma mansoni lipoxygenase 0.0055 0.0386 0.0464
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0361 0.4247 1
Onchocerca volvulus 0.0031 0.0081 0.066
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0046 0.0772
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0199 0.0606
Echinococcus multilocularis chromobox protein 1 0.007 0.0577 0.0577
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0199 0.163
Plasmodium vivax pyruvate kinase, putative 0.004 0.0199 0.0469
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0223 0.0525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0838 0.0838
Loa Loa (eye worm) hypothetical protein 0.0031 0.0081 0.0245
Trichomonas vaginalis esterase, putative 0.0036 0.0144 0.0241
Leishmania major pyruvate kinase 0.004 0.0199 0.0564
Echinococcus granulosus geminin 0.0339 0.3963 0.4766
Chlamydia trachomatis pyruvate kinase 0.004 0.0199 0.0469
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0838 0.1008
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0046 0.0139
Onchocerca volvulus Huntingtin homolog 0.0121 0.1223 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0214 0.0503
Echinococcus multilocularis chromobox protein 1 0.007 0.0577 0.0577
Brugia malayi Fli-1 protein 0.0214 0.239 0.7263
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0214 0.0257
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0231 0.0655
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0591 0.071
Schistosoma mansoni chromobox protein 0.007 0.0577 0.0694
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0199 0.0469
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0426 0.1293
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3291 0.3957
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0144 0.034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0315 0.0956
Entamoeba histolytica hypothetical protein 0.0071 0.0591 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0616 0.074
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0144 0.034
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0315 0.0956
Loa Loa (eye worm) acetyltransferase 0.0143 0.1499 0.4554
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0144 0.0438
Schistosoma mansoni pyruvate kinase 0.004 0.0199 0.024
Plasmodium falciparum enoyl-acyl carrier reductase 0.0361 0.4247 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0315 0.0956
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0199 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0188 0.0345
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0616 0.145
Entamoeba histolytica hypothetical protein 0.0071 0.0591 1
Echinococcus granulosus lamin dm0 0.0027 0.0029 0.0034
Giardia lamblia Pyruvate kinase 0.004 0.0199 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0838 0.2547
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0838 0.2547
Mycobacterium leprae Probable lipase LipE 0.0036 0.0144 0.034
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.058 0.0698
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0188 0.0345
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.058 0.1764
Brugia malayi Ets-domain containing protein 0.0071 0.058 0.1764
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0199 0.163
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0361 0.4247 1
Schistosoma mansoni pyruvate kinase 0.004 0.0199 0.024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Echinococcus granulosus intermediate filament protein 0.0027 0.0029 0.0034
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0199 0.0372
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0144 0.034
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0144 0.034
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0361 0.4247 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0591 0.0591
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0144 0.034
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.1499 0.1802
Brugia malayi hypothetical protein 0.0286 0.3291 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0214 0.0503
Entamoeba histolytica hypothetical protein 0.0071 0.0591 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0144 0.034
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1509 0.4272
Echinococcus multilocularis microtubule associated protein 2 0.0684 0.8316 0.8316
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0616 0.145
Brugia malayi beta-lactamase family protein 0.0036 0.0144 0.0438
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0226 0.1846
Schistosoma mansoni hypothetical protein 0.0058 0.0426 0.0512
Schistosoma mansoni chromobox protein 0.007 0.0577 0.0694
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0199 0.0469
Loa Loa (eye worm) hypothetical protein 0.0286 0.3291 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0144 0.0144
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3291 0.3291
Mycobacterium ulcerans pyruvate kinase 0.004 0.0199 0.0469
Mycobacterium ulcerans beta-lactamase 0.0036 0.0144 0.034
Echinococcus granulosus lamin 0.0027 0.0029 0.0034
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0144 0.0173
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0231 0.0655
Leishmania major pyruvate kinase 0.004 0.0199 0.0564
Loa Loa (eye worm) hypothetical protein 0.0049 0.0315 0.0956
Leishmania major hypothetical protein, conserved 0.0036 0.0144 0.0408
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0179 0.0421
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0029 0.0087
Onchocerca volvulus 0.0027 0.0029 0.0233
Echinococcus granulosus pyruvate kinase 0.004 0.0199 0.024
Mycobacterium tuberculosis Conserved protein 0.0036 0.0144 0.034
Schistosoma mansoni hypothetical protein 0.0034 0.0117 0.0141
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0616 0.074
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Brugia malayi beta-lactamase 0.0036 0.0144 0.0438
Loa Loa (eye worm) hypothetical protein 0.0121 0.1223 0.3715
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0199 0.163
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0144 0.0408
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0144 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0144 0.0241
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0361 0.4247 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0223 0.0428
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.1714 0.4036
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.2584 0.6084
Loa Loa (eye worm) hypothetical protein 0.006 0.0452 0.1372
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.1448 0.1741
Echinococcus multilocularis geminin 0.0339 0.3963 0.3963
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0361 0.4247 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0144 0.0438
Onchocerca volvulus 0.0027 0.0029 0.0233
Echinococcus multilocularis pyruvate kinase 0.004 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0039 0.0188 0.0571
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0616 0.145
Trichomonas vaginalis chromobox protein, putative 0.007 0.0577 0.1271
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0199 0.0372
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0144 0.034
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0144 0.0241
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0616 0.145
Echinococcus multilocularis pyruvate kinase 0.004 0.0199 0.0199
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0226 0.0435
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.3531 1
Toxoplasma gondii hypothetical protein 0.0049 0.0311 0.0732
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0214 0.0214
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0029 0.0087
Echinococcus granulosus microtubule associated protein 2 0.0684 0.8316 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0144 0.034
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0214 0.0649
Schistosoma mansoni lamin 0.0027 0.0029 0.0034
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0199 0.0564
Schistosoma mansoni microtubule-associated protein tau 0.0684 0.8316 1
Leishmania major hypothetical protein, conserved 0.0041 0.0214 0.0605
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0616 0.145
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0144 0.0241
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0386 0.0464
Mycobacterium tuberculosis Conserved protein 0.0036 0.0144 0.034
Echinococcus granulosus pyruvate kinase 0.004 0.0199 0.024
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0199 0.0564
Echinococcus granulosus chromobox protein 1 0.007 0.0577 0.0694
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0144 0.034
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.1499 0.1499
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0616 0.0616
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0144 0.0408
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0349 0.099
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.1509 0.4272
Trypanosoma brucei pyruvate kinase 1 0.004 0.0199 0.0564
Echinococcus multilocularis lamin dm0 0.0027 0.0029 0.0029
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0144 0.0241
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0361 0.4247 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0144 0.0408
Loa Loa (eye worm) hypothetical protein 0.0026 0.0022 0.0068
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0223 0.0525
Onchocerca volvulus 0.0036 0.0144 0.118
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0029 0.0087
Schistosoma mansoni hypothetical protein 0.0339 0.3963 0.4766
Trichomonas vaginalis chromobox protein, putative 0.007 0.0577 0.1271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0838 0.1008
Loa Loa (eye worm) hypothetical protein 0.0027 0.0029 0.0087
Brugia malayi intermediate filament protein 0.0027 0.0029 0.0087
Schistosoma mansoni lamin 0.0027 0.0029 0.0034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0838 0.1008
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0214 0.0503
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0214 0.0605
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0386 0.0386
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0591 0.071
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0223 0.0525
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.1509 0.4272
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0214 0.0605
Loa Loa (eye worm) hypothetical protein 0.0036 0.0144 0.0438
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0188 0.1537
Schistosoma mansoni hypothetical protein 0.0071 0.0591 0.071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0838 0.0838
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0117 0.0357
Loa Loa (eye worm) hypothetical protein 0.0028 0.0046 0.0139
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0361 0.4247 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.3531 1
Schistosoma mansoni gabp alpha 0.0071 0.058 0.0698
Brugia malayi beta-lactamase family protein 0.0036 0.0144 0.0438
Mycobacterium ulcerans lipase LipD 0.0036 0.0144 0.034
Plasmodium falciparum pyruvate kinase 0.004 0.0199 0.0469
Loa Loa (eye worm) hypothetical protein 0.004 0.0199 0.0606
Brugia malayi Ets-domain containing protein 0.0071 0.058 0.1764
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0616 0.1744
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0144 0.034
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.3531 1
Brugia malayi chromobox protein homolog 3 0.0039 0.0188 0.0571
Echinococcus multilocularis lamin 0.0027 0.0029 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0144 0.0173
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0226 0.0435
Brugia malayi hypothetical protein 0.0071 0.0591 0.1795
Brugia malayi Heterochromatin protein 1 0.007 0.0577 0.1754
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0214 0.0503

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.243 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) = 0.0071 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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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