Detailed information for compound 511800

Basic information

Technical information
  • TDR Targets ID: 511800
  • Name: (3Z,5Z)-3,5-bis[(3-bromo-4-hydroxyphenyl)meth ylidene]thian-4-one
  • MW: 482.186 | Formula: C19H14Br2O3S
  • H donors: 2 H acceptors: 3 LogP: 4.92 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1/C(=C/c2ccc(c(c2)Br)O)/CSC/C/1=C\c1ccc(c(c1)Br)O
  • InChi: 1S/C19H14Br2O3S/c20-15-7-11(1-3-17(15)22)5-13-9-25-10-14(19(13)24)6-12-2-4-18(23)16(21)8-12/h1-8,22-23H,9-10H2/b13-5+,14-6+
  • InChiKey: GNKXWUPJIPHMJA-ACFHMISVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3Z,5Z)-3,5-bis[(3-bromo-4-hydroxy-phenyl)methylene]tetrahydrothiopyran-4-one
  • (3Z,5Z)-3,5-bis[(3-bromo-4-hydroxyphenyl)methylene]-4-tetrahydrothiopyranone
  • (3Z,5Z)-3,5-bis[(3-bromo-4-hydroxy-phenyl)methylidene]thian-4-one
  • (3Z,5Z)-3,5-bis(3-bromo-4-hydroxy-benzylidene)tetrahydrothiopyran-4-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0152 0.1617 0.2732
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0026 0.0044
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.1191 0.2013
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.07
Brugia malayi intermediate filament protein 0.0029 0.0166 0.028
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0018 0.0046 0.0078
Schistosoma mansoni zinc binding dehydrogenase 0.0018 0.0046 0.0078
Echinococcus multilocularis 6 phosphofructokinase 0.0115 0.1191 0.1191
Schistosoma mansoni glutamate dehydrogenase 0.0024 0.0117 0.0197
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Entamoeba histolytica adenosylhomocysteinase, putative 0.0516 0.5919 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0026 0.0044
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Onchocerca volvulus 0.0029 0.0166 0.1027
Echinococcus granulosus dihydrofolate reductase 0.0114 0.1171 0.1978
Plasmodium vivax glutamate dehydrogenase (NADP+), putative 0.0024 0.0117 0.0197
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0516 0.5919 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.1267 0.214
Loa Loa (eye worm) adenosylhomocysteinase 0.0516 0.5919 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0196 0.0331
Mycobacterium ulcerans hypothetical protein 0.005 0.0414 0.07
Schistosoma mansoni adenosylhomocysteinase 0.0319 0.3597 0.6077
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0018 0.0046 0.0078
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0622 0.1051
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0633 0.0633
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0018 0.0046 0.0078
Loa Loa (eye worm) acetyltransferase 0.0154 0.1646 0.2781
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.1191 0.2013
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0078
Mycobacterium ulcerans quinone oxidoreductase 0.0018 0.0046 0.0078
Brugia malayi glutamate dehydrogenase, mitochondrial precursor, putative 0.0024 0.0117 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0281 0.3144 0.5311
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0046 0.0078
Echinococcus granulosus lamin dm0 0.0029 0.0166 0.028
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0018 0.0046 0.0046
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0057 0.0097
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0068 0.0068
Onchocerca volvulus 0.005 0.0414 0.2563
Trichomonas vaginalis glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Mycobacterium leprae PROBABLE NADP-DEPENDENT ALCOHOL DEHYDROGENASE ADHC 0.0018 0.0046 0.0078
Echinococcus granulosus lamin 0.0029 0.0166 0.028
Leishmania major oxidoreductase-like protein 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0114 0.1171 0.1978
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0516 0.5919 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.07
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.07
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0018 0.0046 0.0078
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0414 0.07
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0057 0.0097
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0409
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0018 0.0046 0.0078
Mycobacterium ulcerans oxidoreductase 0.0018 0.0046 0.0078
Brugia malayi hypothetical protein 0.002 0.0068 0.0115
Leishmania major glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0112 0.1145 0.1934
Mycobacterium ulcerans 6-phosphofructokinase 0.0115 0.1191 0.2013
Brugia malayi Alcohol dehydrogenase class III 0.0152 0.1617 0.2732
Trypanosoma cruzi glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Brugia malayi 6-phosphofructokinase 0.0115 0.1191 0.2013
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0026 0.0044
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0026 0.0044
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0516 0.5919 1
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0152 0.1617 0.2732
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0057 0.0097
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0057 0.0097
Brugia malayi TAR-binding protein 0.0067 0.0622 0.1051
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.1191 0.2013
Mycobacterium tuberculosis Possible dehydrogenase 0.0018 0.0046 0.0078
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0152 0.1617 0.2732
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.1267 0.1267
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.045
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.07
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0046 0.0078
Echinococcus granulosus thymidylate synthase 0.0112 0.1145 0.1934
Loa Loa (eye worm) hypothetical protein 0.0028 0.016 0.027
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0622 0.1051
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.028
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0009 0.0015
Mycobacterium ulcerans 2-dehydropantoate 2-reductase 0.0109 0.1111 0.1877
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0057 0.0097
Echinococcus multilocularis dihydrofolate reductase 0.0114 0.1171 0.1171
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0026 0.0044
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0633 0.107
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0115
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0318 0.0537
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0068 0.0068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0057 0.0097
Mycobacterium ulcerans dehydrogenase 0.0018 0.0046 0.0078
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0068 0.0068
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0225 0.2488 0.4203
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0018 0.0046 0.0078
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Schistosoma mansoni lipoxygenase 0.0085 0.0834 0.1409
Echinococcus granulosus Glutamate dehydrogenase mitochondrial 0.0024 0.0117 0.0197
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0281 0.3144 0.5311
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0196 0.0331
Schistosoma mansoni hypothetical protein 0.002 0.0068 0.0115
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0114 0.1171 0.1978
Mycobacterium ulcerans polyketide synthase 0.0018 0.0046 0.0078
Schistosoma mansoni lamin 0.0029 0.0166 0.028
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.1595 0.2695
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0414 0.07
Mycobacterium tuberculosis Probable oxidoreductase 0.0018 0.0046 0.0078
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0057 0.0097
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0516 0.5919 1
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0318 1
Schistosoma mansoni ap endonuclease 0.0019 0.0057 0.0097
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.1646 0.2781
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0414 0.07
Mycobacterium tuberculosis Possible dehydrogenase 0.0018 0.0046 0.0078
Loa Loa (eye worm) doublecortin family protein 0.002 0.0068 0.0115
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.1191 0.2013
Mycobacterium tuberculosis Conserved hypothetical protein 0.0109 0.1111 0.1877
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0133 0.1399 0.2364
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0026 0.0044
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0046 0.0078
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0018 0.0046 0.0078
Echinococcus multilocularis musashi 0.0029 0.0166 0.0166
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0516 0.5919 1
Brugia malayi Adenosylhomocysteinase 0.0516 0.5919 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0516 0.5919 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0152 0.1617 0.2732
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0371 0.0626
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0196 0.0331
Onchocerca volvulus 0.0029 0.0166 0.1027
Loa Loa (eye worm) RNA binding protein 0.0067 0.0622 0.1051
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0414 0.07
Schistosoma mansoni lipoxygenase 0.0122 0.1267 0.214
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0068 0.0115
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0196 0.0331
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0633 0.107
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.07
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0018 0.0046 0.0078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Plasmodium falciparum NADP-specific glutamate dehydrogenase 0.0024 0.0117 0.0197
Schistosoma mansoni intermediate filament proteins 0.0029 0.0166 0.028
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0115 0.1191 1
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.07
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0009 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0454 0.0768
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.007 0.0118
Echinococcus multilocularis thymidylate synthase 0.0112 0.1145 0.1145
Trichomonas vaginalis glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Leishmania major quinone oxidoreductase, putative 0.0018 0.0046 0.0078
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0018 0.0046 0.0078
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.1191 0.2013
Loa Loa (eye worm) dihydrofolate reductase 0.0114 0.1171 0.1978
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0018 0.0046 0.0078
Mycobacterium ulcerans quinone reductase Qor 0.0018 0.0046 0.0078
Mycobacterium ulcerans short-chain dehydrogenase 0.0018 0.0046 0.0078
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0633 0.107
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0152 0.1617 0.2732
Echinococcus multilocularis glutamate dehydrogenase 0.0024 0.0117 0.0117
Brugia malayi RNA binding protein 0.0067 0.0622 0.1051
Brugia malayi glutamate dehydrogenase, mitochondrial precursor, putative 0.0024 0.0117 0.0197
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0026 0.0044
Mycobacterium ulcerans oxidoreductase FadB5 0.0018 0.0046 0.0078
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0162 0.174 0.2939
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0622 0.1051
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0018 0.0046 0.0078
Trichomonas vaginalis glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0414 0.07
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.0266 0.045
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.1646 0.2781
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Schistosoma mansoni ap endonuclease 0.0019 0.0057 0.0097
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0409
Echinococcus granulosus adenosylhomocysteinase 0.0516 0.5919 1
Mycobacterium ulcerans thymidylate synthase 0.0112 0.1145 0.1934
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.07
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0026 0.0026
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0414 0.07
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0026 0.0026
Onchocerca volvulus Glutamate dehydrogenase, mitochondrial homolog 0.0024 0.0117 0.0722
Brugia malayi Dihydrofolate reductase 0.0114 0.1171 0.1978
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0057 0.0097
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0318 0.0537
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0166 0.028
Schistosoma mansoni adenosylhomocysteinase 0.0319 0.3597 0.6077
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0516 0.5919 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0057 0.0097
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0133 0.1399 0.2364
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0152 0.1617 0.2732
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0414 0.07
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0362 0.0612
Trypanosoma brucei oxidoreductase, putative 0.0018 0.0046 0.0078
Toxoplasma gondii quinone oxidoreductase, putative 0.0018 0.0046 0.0078
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0166 0.028
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.07
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.1191 0.2013
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0018 0.0046 0.0078
Schistosoma mansoni loxhd1 0.002 0.0068 0.0115
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0409
Leishmania major ATP-dependent phosphofructokinase 0.0115 0.1191 0.2013
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0516 0.5919 1
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.1191 0.2013
Echinococcus granulosus intermediate filament protein 0.0029 0.0166 0.028
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0057 0.0097
Toxoplasma gondii 3-methyl-2-oxobutanoate hydroxymethyltransferase 0.0281 0.3144 0.5311
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0018 0.0046 0.0078
Leishmania major d-xylulose reductase, putative 0.0018 0.0046 0.0078
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0362 0.0612
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0018 0.0046 0.0078
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0068 0.0115
Echinococcus granulosus tar DNA binding protein 0.0067 0.0622 0.1051
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0152 0.1617 0.2732
Schistosoma mansoni lamin 0.0029 0.0166 0.028
Schistosoma mansoni alcohol dehydrogenase 0.0152 0.1617 0.2732
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0166 0.028
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0044
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0057 0.0097
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0046 0.0078
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0152 0.1617 0.2732
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0018 0.0046 0.0078
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0026 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0622 0.1051
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0256 0.2849 0.2849
Onchocerca volvulus 0.002 0.0068 0.0422
Brugia malayi thymidylate synthase 0.0112 0.1145 0.1934
Onchocerca volvulus 0.002 0.0068 0.0422
Brugia malayi isocitrate dehydrogenase 0.0017 0.0026 0.0044
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0152 0.1617 0.2732
Echinococcus granulosus 6 phosphofructokinase 0.0115 0.1191 0.2013
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0068 0.0115
Chlamydia trachomatis dihydrofolate reductase 0.0114 0.1171 1
Echinococcus multilocularis lamin 0.0029 0.0166 0.0166
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0516 0.5919 1
Onchocerca volvulus Glutamate dehydrogenase, mitochondrial homolog 0.0024 0.0117 0.0722
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0018 0.0046 0.0078
Schistosoma mansoni dihydrofolate reductase 0.0114 0.1171 0.1978
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Loa Loa (eye worm) thymidylate synthase 0.0112 0.1145 0.1934
Trypanosoma brucei oxidoreductase, putative 0.0018 0.0046 0.0078
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0225 0.2488 0.4203
Trichomonas vaginalis glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0414 0.07
Brugia malayi Doublecortin family protein 0.002 0.0068 0.0115
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.1646 0.1646
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0196 0.0331
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0068 0.0115
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0414 0.07
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0018 0.0046 0.0078
Brugia malayi dihydrofolate reductase family protein 0.0114 0.1171 0.1978
Onchocerca volvulus 0.0112 0.1145 0.708
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.07
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.1191 0.2013
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.045
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0018 0.0046 0.0078
Brugia malayi 6-phosphofructokinase 0.0115 0.1191 0.2013
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.045
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0362 0.0612
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0057 0.0097
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0068 0.0115
Toxoplasma gondii exonuclease III APE 0.0019 0.0057 0.0097
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0112 0.1145 0.1934
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0633 0.107
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0114 0.1171 0.1978
Trypanosoma cruzi oxidoreductase, putative 0.0018 0.0046 0.0078
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0362 0.0612
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.07
Schistosoma mansoni polycystin 1-related 0.002 0.0068 0.0115
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0362 0.0612
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.1191 0.2013
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0256 0.2849 0.4813
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0516 0.5919 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0414 0.07
Schistosoma mansoni adenosylhomocysteinase 0.0319 0.3597 0.6077
Echinococcus multilocularis Glutamate dehydrogenase, mitochondrial 0.0024 0.0117 0.0117
Toxoplasma gondii NADP-specific glutamate dehydrogenase 0.0024 0.0117 0.0197
Echinococcus multilocularis adenosylhomocysteinase 0.0516 0.5919 0.5919
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.1191 0.2013
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0414 0.07
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0196 0.0331
Onchocerca volvulus Putative alcohol dehydrogenase 0.0152 0.1617 1
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0196 0.0331
Mycobacterium leprae Probable polyketide synthase Pks1 0.0018 0.0046 0.0078
Plasmodium falciparum adenosylhomocysteinase 0.0516 0.5919 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0196 0.5329
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0018 0.0046 0.0078
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0018 0.0046 0.0078
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0362 0.0612
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.045
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.0266 0.045
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0196 0.1225
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.045
Brugia malayi phosphofructokinase 0.0115 0.1191 0.2013
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0294 0.0497
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0026 0.0044
Mycobacterium leprae Probable alcohol dehydrogenase AdhA 0.0018 0.0046 0.0078
Toxoplasma gondii adenosylhomocysteinase, putative 0.0516 0.5919 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.0266 0.0718
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0053 0.0454 0.0768
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0112 0.1145 0.1934
Loa Loa (eye worm) hypothetical protein 0.0018 0.0046 0.0078
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.1191 0.2013
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0057 0.0097
Leishmania major zinc binding dehydrogenase-like protein 0.0018 0.0046 0.0078
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0225 0.2488 0.4203
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0225 0.2488 0.4203
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0622 0.0622
Plasmodium falciparum NADP-specific glutamate dehydrogenase 0.0024 0.0117 0.0197
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0633 0.107
Echinococcus granulosus glutamate dehydrogenase 0.0024 0.0117 0.0197
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0018 0.0046 0.0078
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0256 0.2849 0.4813
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0018 0.0046 0.0078
Trichomonas vaginalis hypothetical protein 0.0063 0.0568 0.096
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0622 0.1051
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0622 0.1051
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0057 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.1191 0.2013
Loa Loa (eye worm) phosphofructokinase 0.0115 0.1191 0.2013
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0057 0.0097
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0115 0.1191 0.2013
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0294 0.0294
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0018 0.0046 0.0078
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0633 0.107
Echinococcus granulosus RUN 0.002 0.0068 0.0115
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0018 0.0046 0.0078
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0115 0.1191 0.2013
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0026 0.0044
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.1191 0.2013
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.07
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.0266 0.045
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0409
Mycobacterium ulcerans ketopantoate reductase, ApbA 0.0281 0.3144 0.5311
Echinococcus multilocularis RUN 0.002 0.0068 0.0068
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0018 0.0046 0.0078
Trypanosoma cruzi glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Schistosoma mansoni rab6-interacting 0.002 0.0068 0.0115
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0225 0.2488 0.4203
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.0266 0.045
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0633 0.107
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.07
Onchocerca volvulus 0.0018 0.0046 0.0284
Brugia malayi hypothetical protein 0.002 0.0068 0.0115
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0633 0.107
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0018 0.0046 0.0078
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0196 0.0331
Mycobacterium ulcerans quinone oxidoreductase 0.0018 0.0046 0.0078
Brugia malayi hypothetical protein 0.0053 0.0454 0.0768
Schistosoma mansoni adenosylhomocysteinase 0.0516 0.5919 1
Schistosoma mansoni rab6-interacting 0.002 0.0068 0.0115
Trypanosoma cruzi oxidoreductase, putative 0.0018 0.0046 0.0078
Mycobacterium leprae Probable oxidireductase 0.0018 0.0046 0.0078
Trichomonas vaginalis glutamate dehydrogenase, putative 0.0024 0.0117 0.0197
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0516 0.5919 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0115
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0196 0.0331
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0622 0.1051
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Leishmania major oxidoreductase, putative 0.0018 0.0046 0.0078
Schistosoma mansoni adenosylhomocysteinase 0.0319 0.3597 0.6077
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0196 0.0331
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0622 0.1051
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0633 0.107
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0225 0.2488 0.4203
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.0454 0.0768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0057 0.0057
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0018 0.0046 0.0078
Giardia lamblia NADP-specific glutamate dehydrogenase 0.0024 0.0117 0.2282
Echinococcus multilocularis lamin dm0 0.0029 0.0166 0.0166

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human recombinant SET7 assessed as histone H3 protein methylation at 100 uM ChEMBL. 18348515
Activity (binding) Inhibition of human recombinant PRMT1 assessed as nuclear ribonucleoprotein Npl3p methylation at 100 uM ChEMBL. 18348515
Activity (binding) Inhibition of human recombinant CARM1 assessed as poly(A) binding protein 1 methylation at 100 uM ChEMBL. 18348515
Activity (binding) 0 Inhibition of human recombinant PRMT1 assessed as nuclear ribonucleoprotein Npl3p methylation at 100 uM ChEMBL. 18348515
Activity (binding) 0 Inhibition of human recombinant CARM1 assessed as poly(A) binding protein 1 methylation at 100 uM ChEMBL. 18348515
Activity (binding) 0 Inhibition of human recombinant SET7 assessed as histone H3 protein methylation at 100 uM ChEMBL. 18348515
Activity (functional) 0 Inhibition of histone H3K4 methylation in human U937 cells at 50 uM after 24 hrs ChEMBL. 18348515
Activity (functional) 0 Inhibition of histone H4R3 methylation in human U937 cells at 50 uM after 24 hrs ChEMBL. 18348515
Activity (functional) 0 Inhibition of histone H3R17 methylation in human U937 cells at 50 uM after 24 hrs ChEMBL. 18348515
Inhibition (binding) = 0 % Inhibition of Aspergillus nidulans RmtA at 88.5 uM ChEMBL. 18348515
Inhibition (binding) = 0 % Inhibition of Aspergillus nidulans RmtA at 88.5 uM ChEMBL. 18348515

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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