Detailed information for compound 1385676

Basic information

Technical information
  • TDR Targets ID: 1385676
  • Name: 4-(2-chlorophenyl)-5-[5-(4-methoxyphenyl)-2H- pyrazol-3-yl]-2H-1,2,4-triazole-3-thione
  • MW: 383.855 | Formula: C18H14ClN5OS
  • H donors: 1 H acceptors: 3 LogP: 3.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1c1ccccc1Cl)S
  • InChi: 1S/C18H14ClN5OS/c1-25-12-8-6-11(7-9-12)14-10-15(21-20-14)17-22-23-18(26)24(17)16-5-3-2-4-13(16)19/h2-10H,1H3,(H,20,21)(H,23,26)
  • InChiKey: TXPTZEQXDROLPA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC01050276
  • ZINC04977817
  • 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
  • MLS000663508
  • SMR000292654
  • ZINC02836890
  • A2875/0121138
  • STOCK3S-39739

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis 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
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans pyruvate kinase 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
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 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 Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable 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
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB 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
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major 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 braziliensis pyruvate kinase 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
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related 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
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase 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 granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense pyruvate kinase 1, 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus Pyruvate kinase homolog 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
Schistosoma mansoni pyruvate kinase 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 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
Echinococcus granulosus 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
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Pyruvate kinase isozyme R, putative 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
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Cryptosporidium parvum pyruvate kinase 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
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
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0107 0.282 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0547 0.0497
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0107 0.282 0.282
Schistosoma mansoni alpha-glucosidase 0.0169 0.5022 0.4878
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0433 0.0471
Echinococcus multilocularis dUTP pyrophosphatase 0.0309 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0433 0.0433
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5997 0.5975
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8878 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5997 0.5975
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1608 0.1364
Echinococcus granulosus dUTP pyrophosphatase 0.0309 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0553 0.0503
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0309 1 1
Onchocerca volvulus 0.0043 0.0547 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0547 0.0611
Trypanosoma brucei glucosidase, putative 0.0044 0.0553 0.0156
Onchocerca volvulus 0.0114 0.3047 0.311
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0107 0.282 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0433 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0553 0.0619
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0433 0.0471
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0547 0.0497
Loa Loa (eye worm) hypothetical protein 0.004 0.0433 0.0433
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0547 0.0547
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0547 0.0147
Leishmania major pyruvate kinase 0.004 0.0433 0.0471
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0553 0.0503
Echinococcus granulosus pyruvate kinase 0.004 0.0433 0.0382
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0309 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0547 0.0272
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0309 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0309 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0553 0.0553
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0309 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0547 0.0611
Loa Loa (eye worm) pyruvate kinase 0.004 0.0433 0.0433
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1608 0.5621
Mycobacterium ulcerans hypothetical protein 0.0043 0.0547 0.1786
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1608 0.5621
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0547 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0553 0.0619
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0553 0.0619
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0309 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5997 0.5975
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0236 0.0184
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1608 0.1364
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0553 0.0503
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1608 0.1564
Loa Loa (eye worm) dUTP diphosphatase 0.0309 1 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0547 0.056
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0283 0.0231
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0433 0.0169
Entamoeba histolytica hypothetical protein 0.0202 0.6181 0.6181
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0107 0.282 0.2494
Leishmania major hypothetical protein, conserved 0.0043 0.0547 0.0611
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7937 0.7937
Mycobacterium leprae Probable lipase LipE 0.0043 0.0547 0.0476
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0553 0.0503
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1608 0.5621
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0309 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0547 0.0497
Echinococcus multilocularis pyruvate kinase 0.0032 0.0132 0.0079
Brugia malayi beta-lactamase 0.0043 0.0547 0.0272
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.8135 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0547 0.056
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0433 0.0155
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0547 0.0272
Plasmodium vivax pyruvate kinase, putative 0.004 0.0433 0.0155
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0309 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.7937 0.7877
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9172 0.9168
Mycobacterium tuberculosis Conserved protein 0.0043 0.0547 0.056
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0107 0.282 0.3135
Loa Loa (eye worm) hypothetical protein 0.0043 0.0547 0.0547
Onchocerca volvulus 0.0286 0.9172 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0107 0.282 0.282
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0553 0.0503
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0553 0.0278
Loa Loa (eye worm) hypothetical protein 0.0036 0.0283 0.0283
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0547 0.0497
Brugia malayi beta-lactamase family protein 0.0043 0.0547 0.0272
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0309 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0433 0.0169
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1608 0.1364
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0309 1 1
Leishmania major pyruvate kinase 0.004 0.0433 0.0471
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0309 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0547 0.1786
Echinococcus granulosus pyruvate kinase 0.004 0.0433 0.0382
Schistosoma mansoni alpha glucosidase 0.0044 0.0553 0.0278
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0547 0.056
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0553 0.0503
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0553 0.0553
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0547 0.0476
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0283 0.0231
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0553 0.0503
Leishmania major hypothetical protein, conserved 0.0257 0.8135 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0553 0.0503
Schistosoma mansoni alpha-glucosidase 0.0169 0.5022 0.4878
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0553 0.0553
Entamoeba histolytica hypothetical protein 0.0309 1 1
Trichomonas vaginalis esterase, putative 0.0043 0.0547 0.0497
Schistosoma mansoni pyruvate kinase 0.004 0.0433 0.0155
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0107 0.282 1
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0433 0.0155
Giardia lamblia Pyruvate kinase 0.004 0.0433 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0547 0.1786
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.8135 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0433 0.0433
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0433 0.0431
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0309 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1608 0.1762
Schistosoma mansoni pyruvate kinase 0.004 0.0433 0.0155
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1608 0.1924
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0553 0.0503
Entamoeba histolytica hypothetical protein 0.0107 0.282 0.282
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5997 0.588
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0309 1 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0553 0.0503
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0547 0.0272
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0547 0.1786
Entamoeba histolytica hypothetical protein 0.0309 1 1
Entamoeba histolytica hypothetical protein 0.0202 0.6181 0.6181
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0547 0.056
Mycobacterium ulcerans pyruvate kinase 0.004 0.0433 0.1375
Echinococcus multilocularis pyruvate kinase 0.004 0.0433 0.0382
Onchocerca volvulus 0.0043 0.0547 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.8135 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0553 0.0278
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0547 0.056
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0547 0.056
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0309 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0547 0.0497
Mycobacterium tuberculosis Conserved protein 0.0043 0.0547 0.056
Echinococcus multilocularis pyruvate kinase 0.004 0.0433 0.0382
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0433 0.0155
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0433 0.0382
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0547 0.0497
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0547 0.0272
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0547 0.056
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0547 0.0497
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0433 0.0382
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0547 0.056
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1608 0.1564
Loa Loa (eye worm) beta-lactamase 0.0043 0.0547 0.0547
Toxoplasma gondii ABC1 family protein 0.0043 0.0547 0.0272
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5997 0.5997
Mycobacterium ulcerans lipase LipD 0.0043 0.0547 0.1786
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0283 0.0231
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0553 0.0503
Onchocerca volvulus 0.0043 0.0547 0.0297

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No literature references available for this target.

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