Detailed information for compound 1572493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.442 | Formula: C19H19FN4O4S
  • H donors: 3 H acceptors: 4 LogP: 2.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1c1n[nH]c(c1)C(=O)Nc1ccc(c(c1)NS(=O)(=O)C)C)F
  • InChi: 1S/C19H19FN4O4S/c1-11-4-6-13(9-15(11)24-29(3,26)27)21-19(25)17-10-16(22-23-17)14-8-12(20)5-7-18(14)28-2/h4-10,24H,1-3H3,(H,21,25)(H,22,23)
  • InChiKey: ZQXNMOLMZWNAAG-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
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble 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
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0434 0.066
Loa Loa (eye worm) carbonic anhydrase 3 0.0185 0.6135 0.6122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.4719 0.4708
Schistosoma mansoni thyroid hormone receptor 0.001 0.0115 0.0094
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.4719 0.768
Toxoplasma gondii exonuclease III APE 0.0036 0.1033 0.175
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0736 0.1154
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.3506 0.3486
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.1218 0.2074
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.2764 0.2749
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0434 0.066
Brugia malayi beta-lactamase family protein 0.0035 0.0986 0.1564
Echinococcus granulosus sulfhydryl oxidase 1 0.0028 0.0728 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0115 0.0083
Brugia malayi TAR-binding protein 0.0067 0.2073 0.3345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0986 0.0967
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0483 0.074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0115 0.0094
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0036 0.1033 0.9389
Schistosoma mansoni importin beta-1 0.0028 0.0736 0.0716
Schistosoma mansoni carbonic anhydrase 0.0087 0.2764 0.2749
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0986 0.0967
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.0032 0.026
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0986 0.81
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0185 0.6135 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0555 0.0857
Onchocerca volvulus 0.001 0.0115 0.087
Schistosoma mansoni ap endonuclease 0.0036 0.1033 0.1013
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0007 0.0032 0.026
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0115 0.0136
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0958 0.0929
Brugia malayi Erv1 / Alr family protein 0.0028 0.0728 0.1141
Onchocerca volvulus 0.0028 0.0756 0.7592
Plasmodium falciparum carbonic anhydrase 0.0087 0.2764 0.4778
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0115 0.0094
Schistosoma mansoni cpg binding protein 0.0028 0.0756 0.0737
Brugia malayi RNA, U transporter 1 0.0079 0.2501 0.4046
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.0032 0.001
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0248 0.0227
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.1033 0.175
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.3506 0.5693
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0483 0.0463
Echinococcus granulosus GPCR family 2 0.0034 0.0958 0.0939
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0115 0.0083
Loa Loa (eye worm) RNA binding protein 0.0067 0.2073 0.2048
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0028 0.0728 0.1141
Toxoplasma gondii Erv1 / Alr family protein 0.0174 0.5751 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0185 0.6135 0.6126
Brugia malayi RNA binding protein 0.0067 0.2073 0.3345
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0986 0.1279
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0115 0.0094
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1218 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0115 0.0136
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0736 0.1154
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0174 0.5751 0.5741
Entamoeba histolytica hypothetical protein 0.0035 0.0976 0.8853
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0115 0.0136
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.2327 0.3761
Schistosoma mansoni ap endonuclease 0.0036 0.1033 0.1013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0081 0.006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0115 0.0094
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0185 0.6135 0.6122
Echinococcus granulosus carbonic anhydrase 0.0087 0.2764 0.2749
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0115 0.0094
Schistosoma mansoni hypothetical protein 0.0034 0.0958 0.0939
Echinococcus granulosus importin subunit beta 1 0.0028 0.0736 0.0716
Plasmodium vivax importin-beta 2, putative 0.0028 0.0736 0.1231
Brugia malayi Augmenter of liver regeneration 0.0174 0.5751 0.9371
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Loa Loa (eye worm) hypothetical protein 0.0087 0.2764 0.2741
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Schistosoma mansoni synaptojanin 0.0007 0.0032 0.001
Entamoeba histolytica Ran family GTPase 0.0021 0.0483 0.4234
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0555 0.4556
Loa Loa (eye worm) hypothetical protein 0.0108 0.3506 0.3486
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0007 0.0032 0.001
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0986 0.1564
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0087 0.2764 0.4478
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0483 0.0463
Echinococcus granulosus tar DNA binding protein 0.0067 0.2073 0.2056
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0115 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0115 0.0136
Toxoplasma gondii ABC1 family protein 0.0035 0.0986 0.167
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0248 0.0227
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1098 1
Trichomonas vaginalis esterase, putative 0.0035 0.0986 0.81
Echinococcus multilocularis carbonic anhydrase II 0.0185 0.6135 0.6126
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0115 0.0136
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0958 0.0939
Mycobacterium tuberculosis Conserved protein 0.0035 0.0986 0.1279
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0115 0.0083
Schistosoma mansoni ran 0.0021 0.0483 0.0463
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.0032 0.026
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0728 0.1217
Leishmania major carbonic anhydrase-like protein 0.0185 0.6135 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0958 0.0939
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.2764 0.2749
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0555 0.0857
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0115 0.0094
Loa Loa (eye worm) hepatopoietin HPO2 0.0174 0.5751 0.5737
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0007 0.0032 0.026
Schistosoma mansoni hypothetical protein 0.0087 0.2764 0.2749
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0483 0.074
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0976 0.0956
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0115 0.0083
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0036 0.1033 0.164
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0115 0.0094
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0028 0.0728 0.7292
Toxoplasma gondii Erv1 / Alr family protein 0.0028 0.0728 0.1217
Trypanosoma brucei carbonic anhydrase-like protein 0.0185 0.6135 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0986 0.1279
Entamoeba histolytica hypothetical protein 0.0035 0.0976 0.8853
Loa Loa (eye worm) beta-lactamase 0.0035 0.0986 0.0958
Echinococcus granulosus carbonic anhydrase 0.0087 0.2764 0.2749
Loa Loa (eye worm) hypothetical protein 0.0087 0.2764 0.2741
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.1033 0.175
Schistosoma mansoni hypothetical protein 0.0165 0.5464 0.5454
Echinococcus granulosus carbonic anhydrase II 0.0185 0.6135 0.6126
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.2764 0.4478
Schistosoma mansoni thyroid hormone receptor 0.001 0.0115 0.0094
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0986 0.1279
Schistosoma mansoni hypothetical protein 0.0035 0.0976 0.0956
Loa Loa (eye worm) hypothetical protein 0.0028 0.0728 0.0698
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0958 0.0939
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.4719 0.4708
Trichomonas vaginalis ap endonuclease, putative 0.0036 0.1033 0.848
Schistosoma mansoni cript-related 0.0007 0.0032 0.001
Loa Loa (eye worm) hypothetical protein 0.003 0.0825 0.0796
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0434 0.0414
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0434 0.0414
Loa Loa (eye worm) Erv1/Alr family protein 0.0028 0.0728 0.0698
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0028 0.0728 0.1217
Brugia malayi beta-lactamase 0.0035 0.0986 0.1564
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0986 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1218 0.1199
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0115 0.0094
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0007 0.0032 0.001
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.1218 0.2074
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0087 0.2764 0.2741
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.4673 0.7605
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0036 0.1033 0.164
Loa Loa (eye worm) hypothetical protein 0.0074 0.2327 0.2302
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0434 0.0704
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.2764 0.4478
Trypanosoma brucei quiescin sulfhydryl oxidase 0.0028 0.0728 0.1141
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1853 0.1836
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0825 0.1387
Echinococcus granulosus carbonic anhydrase 0.0087 0.2764 0.2749
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0434 0.0414
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0825 0.1387
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4719 0.4708
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4719 0.4708
Echinococcus multilocularis carbonic anhydrase 0.0087 0.2764 0.2749
Schistosoma mansoni ran 0.0021 0.0483 0.0463
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0115 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0115 0.0136
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0434 0.066
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0115 0.0094
Echinococcus multilocularis geminin 0.0165 0.5464 0.5454
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0958 0.0939
Brugia malayi isocitrate dehydrogenase 0.0019 0.0434 0.066
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0081 0.006
Brugia malayi CXXC zinc finger family protein 0.0028 0.0756 0.1188
Echinococcus granulosus neutral sphingomyelinase 0.0007 0.0032 0.001
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.0028 0.0728 0.1141
Onchocerca volvulus 0.0035 0.0986 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0036 0.1033 0.164
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0115 0.0094
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2073 0.3345
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0736 0.1231
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1098 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0081 0.005
Entamoeba histolytica hypothetical protein 0.0023 0.0555 0.4907
Loa Loa (eye worm) quiescin Q6 0.0028 0.0728 0.0698
Schistosoma mansoni hypothetical protein 0.0007 0.0032 0.001
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.2764 0.4478
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2073 0.2056
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0736 0.0716
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0174 0.5751 0.9371
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0115 0.0136
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0986 0.81
Leishmania major hypothetical protein, conserved 0.0174 0.5751 0.9371
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0825 0.1299
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Entamoeba histolytica hypothetical protein 0.0035 0.0976 0.8853
Brugia malayi hypothetical protein 0.002 0.0454 0.0692
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0115 0.0083
Entamoeba histolytica hypothetical protein 0.0035 0.0976 0.8853
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0986 0.167
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0007 0.0032 0.026
Trichomonas vaginalis ran, putative 0.0021 0.0483 0.3967
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0434 0.066
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0115 0.087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0986 0.81
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0958 0.1518
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0986 0.1564
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0555 0.4556
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0115 0.0094
Brugia malayi ecdysteroid receptor 0.001 0.0115 0.0136
Echinococcus multilocularis snurportin 1 0.0297 1 1
Schistosoma mansoni hypothetical protein 0.0074 0.2327 0.231
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2073 0.2056
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0297 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0756 0.0727
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0007 0.0032 0.026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0986 0.0958
Schistosoma mansoni carbon catabolite repressor protein 0.0007 0.0032 0.001
Onchocerca volvulus 0.0035 0.0986 1
Trichomonas vaginalis Phospholipase C precursor, putative 0.0007 0.0032 0.026
Schistosoma mansoni quiescin q6-related sulfhydryl oxidase 0.0028 0.0728 0.0708
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0087 0.2764 0.4478
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0007 0.0032 0.001
Echinococcus granulosus FTZ F1 alpha 0.001 0.0115 0.0094
Echinococcus multilocularis traf and tnf receptor associated protein 0.0007 0.0032 0.001
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2073 0.2056
Treponema pallidum exodeoxyribonuclease (exoA) 0.0036 0.1033 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.3506 0.5693
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.4719 0.4708
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0986 0.1279
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0434 0.0704
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0483 0.0453
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0174 0.5751 0.9371
Schistosoma mansoni nocturnin 0.0007 0.0032 0.001
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2073 0.2056
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0185 0.6135 1
Brugia malayi quiescin Q6 0.0028 0.0728 0.1141
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0077 0.0075
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0434 0.066
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0986 0.0967
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0115 0.087
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0115 0.0136
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0174 0.5751 0.9371
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0115 0.0094
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0007 0.0032 0.001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0115 0.0136
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0958 0.1518
Echinococcus multilocularis neutral sphingomyelinase 0.0007 0.0032 0.001
Onchocerca volvulus 0.0035 0.0986 1
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0028 0.0728 0.7292
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2073 0.2048
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0036 0.1033 0.1004
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0185 0.6135 0.6126
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0986 0.81
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0036 0.1033 0.9389
Brugia malayi hypothetical protein 0.0035 0.0976 0.1547
Brugia malayi nuclear receptor NHR-88 0.001 0.0115 0.0136
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0986 0.81
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0986 0.1279
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0115 0.0094
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0434 0.0404
Leishmania major hypothetical protein, conserved 0.003 0.0825 0.1299
Schistosoma mansoni hypothetical protein 0.0034 0.0958 0.0939
Schistosoma mansoni hypothetical protein 0.0034 0.0958 0.0939
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0007 0.0032 0.001
Brugia malayi nuclear hormone receptor 0.001 0.0115 0.0136
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0434 0.0414
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0434 0.0539
Schistosoma mansoni cpg binding protein 0.003 0.0812 0.0793
Echinococcus granulosus synaptojanin 1 0.0007 0.0032 0.001
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0483 0.0789
Schistosoma mansoni cpg binding protein 0.003 0.0812 0.0793
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0976 0.0956
Loa Loa (eye worm) acetyltransferase 0.0142 0.4673 0.4656
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0115 0.0094
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0036 0.1033 0.1341
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0007 0.0032 0.026
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0115 0.087
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0825 0.1299
Echinococcus multilocularis carbonic anhydrase 0.0087 0.2764 0.2749
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0036 0.1033 1
Brugia malayi hypothetical protein 0.003 0.0825 0.1299
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0434 0.0414
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0115 0.0094
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0434 0.066
Schistosoma mansoni nuclear hormone receptor 0.001 0.0115 0.0094
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.4536 0.4524
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0483 0.0789
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0115 0.0083
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0007 0.0032 0.026
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.7496 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1098 0.1864
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0115 0.0094
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0115 0.0094
Mycobacterium tuberculosis Conserved protein 0.0035 0.0986 0.1279
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.4719 0.4702
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0483 0.0789
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0115 0.0136
Echinococcus granulosus traf and tnf receptor associated protein 0.0007 0.0032 0.001
Echinococcus multilocularis carbonic anhydrase 0.0087 0.2764 0.2749
Schistosoma mansoni hypothetical protein 0.0165 0.5464 0.5454
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2073 0.2056
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0434 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0115 0.0136
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Toxoplasma gondii hypothetical protein 0.0087 0.2764 0.4778
Plasmodium falciparum importin beta, putative 0.0028 0.0736 0.1231
Mycobacterium leprae Probable lipase LipE 0.0035 0.0986 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0115 0.0094
Loa Loa (eye worm) hypothetical protein 0.0087 0.2764 0.2741
Echinococcus granulosus cpg binding protein 0.003 0.0812 0.0793
Toxoplasma gondii Erv1 / Alr family protein 0.0174 0.5751 1
Brugia malayi Importin beta-1 subunit 0.0028 0.0736 0.1154
Schistosoma mansoni coup transcription factor 0.001 0.0115 0.0094
Trichomonas vaginalis ap endonuclease, putative 0.0036 0.1033 0.848
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0825 0.1299
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0825 0.1387
Schistosoma mansoni synaptojanin 0.0007 0.0032 0.001
Brugia malayi beta-lactamase family protein 0.0035 0.0986 0.1564
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0007 0.0032 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0115 0.0083
Leishmania major GTP-binding protein, putative 0.0021 0.0483 0.074
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.1218 0.2074
Schistosoma mansoni neutral sphingomyelinase 0.0007 0.0032 0.001
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0986 0.1564
Mycobacterium tuberculosis Conserved protein 0.0035 0.0986 0.1279
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0825 0.1387
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0115 0.0094
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0986 0.1279
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0174 0.5751 0.5741
Echinococcus multilocularis sulfhydryl oxidase 1 0.0028 0.0728 0.0708
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0115 0.0136
Echinococcus multilocularis synaptojanin 1 0.0007 0.0032 0.001
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0555 0.4556
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0115 0.0094
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0483 0.074
Echinococcus multilocularis deoxyribonuclease 1 2 0.0007 0.0032 0.001
Echinococcus granulosus geminin 0.0165 0.5464 0.5454
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0115 0.0094
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0483 0.074
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2073 0.2048
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0115 0.0094
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0036 0.1033 0.1013
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0986 0.1564
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0115 0.0136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.4719 0.4708
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0115 0.0136
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0434 0.0704
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0986 0.1279
Leishmania major hypothetical protein, conserved 0.0035 0.0986 0.1564
Schistosoma mansoni hypothetical protein 0.0034 0.0958 0.0939
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.2764 0.2749
Echinococcus multilocularis GPCR, family 2 0.0034 0.0958 0.0939
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.4673 0.4661
Brugia malayi steroid hormone receptor 0.001 0.0115 0.0136
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1751 0.3007
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0434 0.0704
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0115 0.0136
Brugia malayi exodeoxyribonuclease III family protein 0.0036 0.1033 0.164
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0115 0.0094
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0986 0.0967
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2073 0.2056
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0185 0.6135 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0115 0.0094
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0483 0.4234
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0976 0.0956
Schistosoma mansoni hypothetical protein 0.0297 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0115 0.0094
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0174 0.5751 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0036 0.1033 0.1013
Loa Loa (eye worm) hypothetical protein 0.0034 0.0958 0.0929
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0036 0.1033 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0115 0.0083
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1218 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.4673 0.4661
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0174 0.5751 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0434 0.0414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4719 0.4708
Loa Loa (eye worm) hypothetical protein 0.0028 0.0728 0.0698
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0036 0.1033 0.164
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0115 0.0083
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0185 0.6135 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0736 0.0707
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0174 0.5751 0.9371
Echinococcus multilocularis cpg binding protein 0.003 0.0812 0.0793
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0986 0.0958
Schistosoma mansoni hypothetical protein 0.0014 0.0248 0.0227
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0028 0.0728 0.7292

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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