Detailed information for compound 1383407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.842 | Formula: C21H20ClNO2
  • H donors: 1 H acceptors: 2 LogP: 4.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(c2ccccc2)c(=O)n(c(c1Cl)C(C)(C)C)c1ccccc1
  • InChi: 1S/C21H20ClNO2/c1-21(2,3)19-17(22)18(24)16(14-10-6-4-7-11-14)20(25)23(19)15-12-8-5-9-13-15/h4-13,24H,1-3H3
  • InChiKey: SXCMNKSDLJDFTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus eukaryotic translation initiation factor 4E Starlite/ChEMBL No references
Homo sapiens hexokinase domain containing 1 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Neospora caninum cDNA FLJ57348, highly similar to Homo sapiens hexokinase domain containing 1 (HKDC1), mRNA, related Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium hominis initiation factor e4 Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma congolense Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126743 All targets in OG5_126743
Trichomonas vaginalis pyruvate kinase, putative 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
Leishmania donovani Eukaryotic translation initiation factor 4E-2 Get druggable targets OG5_127278 All targets in OG5_127278
Schistosoma japonicum ko:K03259 translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum ko:K00844 hexokinase [EC2.7.1.1], putative Get druggable targets OG5_126743 All targets in OG5_126743
Toxoplasma gondii eukaryotic initiation factor-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Plasmodium knowlesi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Theileria parva translation initiation factor E4, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania donovani Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma congolense hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania donovani pyruvate kinase, putative 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
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica hexokinase 1 Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase type II Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium berghei pyruvate kinase, 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
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania braziliensis eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major eukaryotic translation initiation factor-like Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi pyruvate kinase 2, 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 Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis hexokinase i Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum 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
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Schistosoma mansoni 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
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni eukaryotic translation initiation factor 4e Get druggable targets OG5_127278 All targets in OG5_127278
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi Hexokinase family protein Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Toxoplasma gondii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Plasmodium yoelii hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis eukaryotic translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus granulosus eukaryotic translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Entamoeba histolytica hexokinase 2 Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase 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 bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania mexicana eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania infantum eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania infantum eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Candida albicans mRNA cap-binding protein eIF4E, translation initiation Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania mexicana eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Neospora caninum hypothetical protein Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma brucei hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania major eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma congolense pyruvate kinase 1, 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
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus hexokinase type 2 Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Echinococcus multilocularis pyruvate kinase 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
Trypanosoma brucei gambiense eukaryotic translation initiation factor 4e, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Echinococcus granulosus 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
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Leishmania infantum hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Cryptosporidium parvum translation initiation factor if-4E Get druggable targets OG5_127278 All targets in OG5_127278
Loa Loa (eye worm) hypothetical protein 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
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Treponema pallidum hexokinase (hxk) Get druggable targets OG5_126743 All targets in OG5_126743
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis hexokinase Get druggable targets OG5_126743 All targets in OG5_126743
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi hexokinase, putative Get druggable targets OG5_126743 All targets in OG5_126743
Onchocerca volvulus Pyruvate kinase homolog 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
Candida albicans similar to D.occidentalis hexokinase HXK which is able to phosphorylate glucose and fructose Get druggable targets OG5_126743 All targets in OG5_126743
Candida albicans one of four closely related hexokinase-like genes similar to P.angusta GLK1 and to S. cerevisiae Glucokinase GLK1 (YCL040W) Get druggable targets OG5_126743 All targets in OG5_126743
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania braziliensis pyruvate kinase 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
Plasmodium falciparum eukaryotic translation initiation factor 4E eukaryotic translation initiation factor 4E 217 aa 188 aa 25.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pyruvate kinase 0.004 0.2532 0.2532
Leishmania major eukaryotic translation initiation factor-like protein 0.0042 0.2714 0.2517
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2648 0.2449
Echinococcus multilocularis zinc finger protein 0.0024 0.0308 0.0046
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 0.2714 0.2517
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5192 0.5062
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 1
Echinococcus multilocularis hexokinase 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0263 0.0263
Onchocerca volvulus 0.0096 1 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0042 0.2714 0.0244
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2532 0.9256
Echinococcus granulosus hexokinase 0.0096 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.6781 0.6694
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 1
Leishmania major hexokinase, putative 0.0096 1 1
Chlamydia trachomatis pyruvate kinase 0.004 0.2532 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0479 0.0221
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.2532 0.5
Brugia malayi Bromodomain containing protein 0.0091 0.925 0.9229
Echinococcus granulosus hexokinase type 2 0.0096 1 1
Echinococcus multilocularis pyruvate kinase 0.004 0.2532 0.233
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 1
Loa Loa (eye worm) hexokinase 0.003 0.1126 0.1126
Loa Loa (eye worm) hexokinase 0.006 0.5212 0.5212
Echinococcus granulosus hexokinase 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1235 0.1235
Leishmania major pyruvate kinase 0.004 0.2532 0.233
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2532 0.233
Loa Loa (eye worm) hexokinase type II 0.0096 1 1
Brugia malayi PHD-finger family protein 0.003 0.1169 0.093
Brugia malayi Hexokinase family protein 0.006 0.5212 0.5082
Loa Loa (eye worm) hypothetical protein 0.0049 0.3722 0.3722
Trypanosoma brucei pyruvate kinase 1 0.004 0.2532 0.233
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0042 0.2714 0.2517
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.2532 0.233
Loa Loa (eye worm) hexokinase 0.0096 1 1
Onchocerca volvulus 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.334 0.334
Schistosoma mansoni pyruvate kinase 0.004 0.2532 0.233
Loa Loa (eye worm) pyruvate kinase 0.004 0.2532 0.2532
Echinococcus granulosus hexokinase 0.0096 1 1
Echinococcus multilocularis hexokinase 0.0096 1 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0042 0.2714 0.2517
Trypanosoma cruzi hexokinase, putative 0.0096 1 1
Trypanosoma brucei hexokinase 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.2648 0.2648
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.006 0.5192 0.5192
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0787 0.0538
Loa Loa (eye worm) translation initiation factor 4E 0.0042 0.2714 0.2714
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0479 0.0479
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0042 0.2714 0.2517
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 0.2517
Loa Loa (eye worm) pyruvate kinase 0.004 0.2532 0.2532
Echinococcus multilocularis pyruvate kinase 0.004 0.2532 0.233
Brugia malayi hexokinase type II 0.0031 0.1235 0.0998
Echinococcus multilocularis hexokinase 0.0096 1 1
Brugia malayi translation initiation factor 4E 0.0042 0.2714 0.2517
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0787 0.0538
Brugia malayi Hexokinase family protein 0.003 0.1126 0.0886
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2947 0.2756
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.2532 0.233
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.2532 1
Trypanosoma brucei hexokinase 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.5914 0.5914
Loa Loa (eye worm) hypothetical protein 0.004 0.2532 0.2532
Onchocerca volvulus Hexokinase homolog 0.006 0.5212 0.3588
Schistosoma mansoni hexokinase 0.0096 1 1
Brugia malayi Hexokinase family protein 0.0096 1 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.2532 0.233
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 0.2517
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0787 0.0538
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5192 0.5062
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.6781 0.6694
Trypanosoma brucei hexokinase, putative 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1235 0.1235
Onchocerca volvulus 0.006 0.5212 0.3588
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0042 0.2714 0.2517
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 0.2714 0.2517
Entamoeba histolytica hexokinase 2 0.0096 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.403 0.403
Schistosoma mansoni bromodomain containing protein 0.0076 0.7359 0.7288
Echinococcus granulosus zinc finger protein 0.0024 0.0308 0.0046
Leishmania major pyruvate kinase 0.004 0.2532 0.233
Leishmania major hexokinase, putative 0.0096 1 1
Echinococcus granulosus pyruvate kinase 0.004 0.2532 0.233
Entamoeba histolytica hexokinase 1 0.0096 1 1
Toxoplasma gondii hexokinase 0.0096 1 1
Plasmodium vivax hexokinase, putative 0.0096 1 1
Loa Loa (eye worm) hexokinase 0.0096 1 1
Schistosoma mansoni pyruvate kinase 0.004 0.2532 0.233
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.2714 1
Schistosoma mansoni zinc finger protein 0.0024 0.0308 0.0046
Loa Loa (eye worm) hypothetical protein 0.0028 0.0903 0.0903
Mycobacterium ulcerans pyruvate kinase 0.004 0.2532 1
Treponema pallidum hexokinase (hxk) 0.0096 1 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2532 0.9256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5192 0.5192
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0903 0.0903
Brugia malayi Bromodomain containing protein 0.0046 0.3329 0.3148
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0903 0.0657
Echinococcus multilocularis pyruvate kinase 0.0032 0.1398 0.1165
Leishmania major eukaryotic translation initiation factor-like 0.0042 0.2714 0.2517
Echinococcus granulosus pyruvate kinase 0.004 0.2532 0.233
Schistosoma mansoni hypothetical protein 0.0041 0.2648 0.2449
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2532 0.233
Trypanosoma cruzi hexokinase, putative 0.0096 1 1
Onchocerca volvulus 0.0096 1 1
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0042 0.2714 0.2517
Plasmodium falciparum hexokinase 0.0096 1 1
Giardia lamblia Pyruvate kinase 0.004 0.2532 1
Echinococcus multilocularis hexokinase type 2 0.0096 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2947 0.2756
Loa Loa (eye worm) hypothetical protein 0.0085 0.8559 0.8559

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 20.15 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
AC50 (functional) = 75.62 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) = 27.2 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950] ChEMBL. No reference
IC50 (functional) = 8.83 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
IC50 (functional) 14.13 uM PUBCHEM_BIOASSAY: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID782] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 8.2753 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 46.4515 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Confirmation of Cherrypicks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): Cherrypicks in WT IDH1. (Class of assay: confirmatory) 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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