Detailed information for compound 1405705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.392 | Formula: C13H11F3N6S2
  • H donors: 0 H acceptors: 4 LogP: 3.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(S)nnc1c1csc(n1)n1nc(cc1C(F)(F)F)C
  • InChi: 1S/C13H11F3N6S2/c1-3-4-21-10(18-19-11(21)23)8-6-24-12(17-8)22-9(13(14,15)16)5-7(2)20-22/h3,5-6H,1,4H2,2H3,(H,19,23)
  • InChiKey: UFHXMGXPCFKYJD-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 glutaminase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3627 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3627 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0149 0.0001
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1771 0.4842
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0148 0.0333
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1771 0.4663
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.3627 0.3627
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0149 0.0158
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0369 0.0633
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.3627 0.3531
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0148 0.0333
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0028 0.0028
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0115 0.3094 0.8518
Brugia malayi jmjC domain containing protein 0.0071 0.1697 0.1674
Plasmodium vivax SET domain protein, putative 0.0036 0.0576 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0576 0.1523
Loa Loa (eye worm) hypothetical protein 0.0182 0.5269 0.5256
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1697 0.1697
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.3627 1
Brugia malayi Pre-SET motif family protein 0.0251 0.7475 0.7468
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1697 0.4637
Onchocerca volvulus 0.0286 0.8588 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1771 0.1647
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0534 0.1405
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0149 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1771 0.4842
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0576 0.1523
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0148 0.0148
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0148 0.0148
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.0485 0.0458
Brugia malayi phosphofructokinase 0.0131 0.3627 0.361
Schistosoma mansoni ap endonuclease 0.0023 0.0149 0.0149
Brugia malayi 6-phosphofructokinase 0.0131 0.3627 0.361
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0557 0.9657
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0557 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0148 0.0333
Echinococcus multilocularis voltage gated potassium channel 0.0033 0.0485 0.127
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0149 0.0121
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0149 0.2204
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Echinococcus granulosus voltage gated potassium channel 0.0033 0.0485 0.127
Mycobacterium ulcerans hypothetical protein 0.003 0.0369 0.0224
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1697 0.4637
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0557 0.3038
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0149 0.0121
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0115 0.3094 0.3075
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0148 0.0333
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0557 0.5
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0557 0.3038
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3627 0.3532
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0148 0.012
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0033 0.0485 0.127
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1771 0.2286
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1697 0.1697
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0485 0.0485
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0557 0.0416
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0099 0.2609 0.2588
Loa Loa (eye worm) hypothetical protein 0.0033 0.0485 0.0458
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.2852 0.2745
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0576 0.1523
Onchocerca volvulus 0.0182 0.5269 0.5857
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.7654 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1771 0.1647
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0557 0.3038
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0557 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7475 0.7468
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0148 0.0148
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0028 0.0028
Brugia malayi Cyclic-nucleotide gated cation channel 0.0023 0.0148 0.012
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.3627 0.472
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1771 0.1771
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0148 0.012
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3627 0.3532
Leishmania major hypothetical protein, conserved 0.0257 0.7654 1
Schistosoma mansoni voltage-gated potassium channel 0.0125 0.3431 0.3431
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0107 0.2852 0.2745
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0023 0.0148 0.0333
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.3627 0.3627
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.3627 0.472
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0369 0.0447
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1697 0.4637
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0149 0.2283
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1697 0.1697
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0557 0.1175
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0557 0.1175
Loa Loa (eye worm) phosphofructokinase 0.0131 0.3627 0.361
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0149 0.0336
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.012
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0023 0.0148 0.0333
Schistosoma mansoni ap endonuclease 0.0023 0.0149 0.0149
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0115 0.3094 0.3075
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.3627 0.361
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0557 1
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0369 0.0224
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1697 0.4637
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0576 0.0576
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0028 0.0028
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0576 0.3146
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0023 0.0148 0.0333
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.7654 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.3627 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0028 0.0028
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.3627 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0369 0.0447
Brugia malayi Pre-SET motif family protein 0.0036 0.0576 0.055
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.3627 1
Brugia malayi hypothetical protein 0.0182 0.5269 0.5256
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0149 0.0336
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.3627 0.5
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0557 1
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.7654 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0576 0.0576
Toxoplasma gondii exonuclease III APE 0.0023 0.0149 0.0693
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1771 0.1647
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1771 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0033 0.0485 0.127
Mycobacterium ulcerans hypothetical protein 0.003 0.0369 0.0224
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0557 0.9657
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0148 0.0148
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.3627 0.472
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0148 0.0333
Mycobacterium tuberculosis Conserved protein 0.003 0.0369 0.0633
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0028 0.0028
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0149 0.0158
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3627 0.3532
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0115 0.3094 0.8518
Brugia malayi 6-phosphofructokinase 0.0131 0.3627 0.361
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0369 0.0948
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1771 0.1771
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0023 0.0148 0.0333
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0149 0.0158
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0148 0.0148
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0369 0.0224
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0369 0.0225
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8588 0.8567
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0149 0.0158
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.3627 0.361
Schistosoma mansoni voltage-gated potassium channel 0.0125 0.3431 0.3431
Loa Loa (eye worm) hypothetical protein 0.0036 0.0576 0.055
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0557 0.0416
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.0485 0.0485
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.3627 0.3532
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0369 0.0447
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.3627 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0369 0.0224
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0369 0.0948
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0149 0.0001
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0148 0.0148
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0148 0.0333
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0023 0.0148 0.0333
Brugia malayi jmjC domain containing protein 0.0071 0.1697 0.1674
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1697 0.1674
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0576 0.0576

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0355 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3808 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) = 5.0119 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) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.012 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 7.5686 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor: Hit Validation with GloSensor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485386] 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 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) 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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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