Detailed information for compound 1617441

Basic information

Technical information
  • TDR Targets ID: 1617441
  • Name: 2-hydroxy-1,2-di(phenyl)ethanesulfonic acid
  • MW: 278.324 | Formula: C14H14O4S
  • H donors: 2 H acceptors: 4 LogP: 1.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(C(S(=O)(=O)O)c1ccccc1)c1ccccc1
  • InChi: 1S/C14H14O4S/c15-13(11-7-3-1-4-8-11)14(19(16,17)18)12-9-5-2-6-10-12/h1-10,13-15H,(H,16,17,18)
  • InChiKey: ZUZCEPDMQCVPET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC50145
  • 2-hydroxy-1,2-diphenylethanesulfonic acid
  • NCI60_004205

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
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0014 0.0431
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0018 0.0019
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0061 0.0125
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0061 0.0111
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2782 0.3785 0.3785
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.001 0.001
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0256 0.0313 0.0313
Leishmania major carboxylase, putative 0.2782 0.3785 0.3785
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0256 0.0313 0.0433
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0256 0.0313 0.0313
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0018 0.0109
Brugia malayi Pre-SET motif family protein 0.0033 0.0006 0.0007
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2782 0.3785 0.3785
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0018 0.0002
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7048 0.9648 1
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0018 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0018 0.0018
Brugia malayi Pre-SET motif family protein 0.0228 0.0274 0.0284
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0256 0.0313 0.0313
Onchocerca volvulus 0.0033 0.0006 0.0193
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0256 0.0313 0.0766
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2782 0.3785 0.959
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0062 0.0062
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0507
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2782 0.3785 0.6129
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0017 0.0546
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0062 0.0062
Mycobacterium leprae Probable lipase LipE 0.0072 0.0061 0.0125
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0018 0.0109
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0009 0.0009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0629 0.0826 0.1337
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.001 0.001
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.099 0.1322 0.333
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0256 0.0313 0.0324
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0064 0.0066
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0018 0.0573
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0256 0.0313 0.0313
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0313
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0256 0.0313 0.0785
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2782 0.3785 0.959
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0014 0.0014
Leishmania major propionyl-coa carboxylase beta chain, putative 0.099 0.1322 0.1322
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0629 0.0826 0.1143
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0629 0.0826 0.0826
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0507
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0014 0.0014
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0014 0.0014
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0002 0.0003
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0629 0.0826 0.1337
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0256 0.0313 0.0313
Brugia malayi beta-lactamase family protein 0.0072 0.0061 0.0063
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0018 0.0018
Chlamydia trachomatis biotin carboxylase 0.2526 0.3434 0.8588
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2782 0.3785 0.9589
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0256 0.0313 0.0507
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5285 0.7226 1
Schistosoma mansoni hypothetical protein 0.0075 0.0064 0.0064
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0256 0.0313 0.0324
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0062 0.0062
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.1322
Brugia malayi hypothetical protein 0.0075 0.0065 0.0067
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0256 0.0313 0.0766
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0062 0.0062
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0111 0.0116
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0014 0.0082
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.099 0.1322 0.332
Loa Loa (eye worm) beta-lactamase 0.0072 0.0061 0.0063
Leishmania major hypothetical protein, conserved 0.0072 0.0061 0.0061
Echinococcus multilocularis dihydrofolate reductase 0.2899 0.3946 0.3946
Schistosoma mansoni aspartate carbamoyltransferase 0.0629 0.0826 0.0826
Brugia malayi beta-lactamase 0.0072 0.0061 0.0063
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.0274 0.0284
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0061 0.1914
Plasmodium vivax SET domain protein, putative 0.0033 0.0006 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Loa Loa (eye worm) dihydrofolate reductase 0.2899 0.3946 0.409
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2782 0.3785 1
Brugia malayi Dihydrofolate reductase 0.2899 0.3946 0.409
Brugia malayi MH2 domain containing protein 0.0138 0.0152 0.0157
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0629 0.0826 0.0826
Mycobacterium ulcerans lipase LipD 0.0072 0.0061 0.0111
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2782 0.3785 0.9589
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0061 0.0125
Brugia malayi thymidylate synthase 0.0158 0.0179 0.0186
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0152 0.0157
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0017 0.0104
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0014 0.0431
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0256 0.0313 0.0766
Echinococcus granulosus Biotin lipoyl attachment 0.0256 0.0313 0.0313
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0256 0.0313 0.0313
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0065 0.2049
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0006 0.0006
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.099 0.1322 0.1322
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0017 0.0546
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0014 0.0014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0111 0.0116
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0629 0.0826 0.2145
Echinococcus multilocularis thymidylate synthase 0.0158 0.0179 0.0179
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0017 0.0546
Leishmania major hypothetical protein, conserved 0.0029 0.0002 0.0002
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0256 0.0313 0.0313
Trichomonas vaginalis set domain proteins, putative 0.0259 0.0318 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2782 0.3785 0.3785
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0061 0.0125
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0256 0.0313 0.0313
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.0179 0.0179
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0018 0.0018
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.2357
Loa Loa (eye worm) inositol-1 0.0041 0.0017 0.0018
Echinococcus multilocularis Biotin lipoyl attachment 0.0256 0.0313 0.0313
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0009 0.0009
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0061 0.0063
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5285 0.7226 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.214
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0256 0.0313 0.0313
Schistosoma mansoni inositol monophosphatase 0.0041 0.0017 0.0017
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0018 0.0573
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0462 0.0596 0.1486
Toxoplasma gondii exonuclease III APE 0.0041 0.0018 0.0018
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.099 0.1322 0.2776
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0006 0.0006
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2782 0.3785 0.959
Brugia malayi hypothetical protein 0.0029 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0018 0.0018
Mycobacterium ulcerans hypothetical protein 0.0256 0.0313 0.0753
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.214
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.099 0.1322 0.333
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0014 0.0014
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2782 0.3785 0.3785
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0111 0.0116
Leishmania major carbamoyl-phosphate synthase, putative 0.0629 0.0826 0.0826
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2899 0.3946 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0061 0.1914
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0061 0.0098
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.1322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0164 0.0164
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0017 0.0017
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0629 0.0826 0.0826
Loa Loa (eye worm) hypothetical protein 0.0109 0.0111 0.0116
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0014
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.099 0.1322 0.332
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0158 0.0179 0.0426
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0002 0.0003
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2782 0.3785 0.3785
Schistosoma mansoni dihydrofolate reductase 0.2899 0.3946 0.3946
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.099 0.1322 0.214
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0014
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0256 0.0313 0.0313
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0014 0.0014
Onchocerca volvulus 0.0072 0.0061 0.1909
Mycobacterium tuberculosis Hypothetical protein 0.0075 0.0065 0.0136
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0256 0.0313 0.0313
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0256 0.0313 0.0433
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2899 0.3946 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0017
Onchocerca volvulus 0.0158 0.0179 0.564
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Schistosoma mansoni inositol monophosphatase 0.0041 0.0017 0.0017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.0164 0.017
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0062 0.0129
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0061 0.0111
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0006 0.0006
Trypanosoma brucei unspecified product 0.1829 0.2475 0.2475
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0061 0.0125
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0009 0.0009
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0507
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0256 0.0313 0.0324
Loa Loa (eye worm) hypothetical protein 0.0029 0.0002 0.0002
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0507
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.099 0.1322 0.1322
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0061 0.0125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0035 0.001 0.001
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0256 0.0313 0.0433
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0018 0.0017
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.094 0.094
Brugia malayi hypothetical protein 0.0035 0.001 0.0011
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0256 0.0313 0.0313
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.099 0.1322 0.332
Trichomonas vaginalis esterase, putative 0.0072 0.0061 0.1914
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0313
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0256 0.0313 0.0313
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0018 0.0029
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0507
Mycobacterium ulcerans thymidylate synthase 0.0158 0.0179 0.0412
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0061 0.0061
Brugia malayi Cytochrome P450 family protein 0.0055 0.0037 0.0038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0006 0.0006
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0256 0.0313 0.0753
Loa Loa (eye worm) thymidylate synthase 0.0158 0.0179 0.0186
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0017 0.0017
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.099 0.1322 0.332
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0061 0.0061
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0009 0.0009
Brugia malayi beta-lactamase family protein 0.0072 0.0061 0.0063
Schistosoma mansoni pyruvate carboxylase 0.2782 0.3785 0.3785
Trypanosoma cruzi acetyl-CoA carboxylase 0.4522 0.6176 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Echinococcus granulosus dihydrofolate reductase 0.2899 0.3946 0.3946
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0152 0.0157
Onchocerca volvulus 0.0072 0.0061 0.1909
Echinococcus granulosus microtubule associated protein 2 0.0712 0.094 0.094
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.0164 0.017
Echinococcus multilocularis GPCR, family 2 0.0035 0.0009 0.0009
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0018 0.0025
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0256 0.0313 0.0313
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.099 0.1322 0.1322
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2782 0.3785 0.3785
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0075 0.0065 0.0105
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0022
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0014 0.0014
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1267 0.1703 0.2357
Mycobacterium ulcerans hypothetical protein 0.0072 0.0061 0.0111
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.099 0.1322 0.333
Onchocerca volvulus 0.0259 0.0318 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0028
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0018 0.0019
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0256 0.0313 0.0313
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0002 0.0002
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2782 0.3785 0.3785
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2782 0.3785 0.9589
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0061 0.0084
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0061 0.0098
Brugia malayi Inositol-1 0.0041 0.0017 0.0018
Schistosoma mansoni ap endonuclease 0.0041 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0075 0.0064 0.0066
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0018 0.0025
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0256 0.0313 0.0433
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0022
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0028
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0256 0.0313 0.0753
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0006 0.0006
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0061 0.0125
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0256 0.0313 0.0313
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0313
Toxoplasma gondii ABC1 family protein 0.0072 0.0061 0.0061
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0256 0.0313 0.0433
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.099 0.1322 0.333
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0062 0.0062
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.099 0.1322 0.332
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0014 0.0082
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0629 0.0826 0.2057
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0313
Chlamydia trachomatis dihydrofolate reductase 0.2899 0.3946 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1246 0.1673 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0014 0.0014
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0017 0.0017
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0061 0.0125
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0061 0.0061
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1246 0.1673 1
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.099 0.1322 0.333
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0256 0.0313 0.0313
Toxoplasma gondii carbamoylphosphate synthetase 0.0629 0.0826 0.0826
Echinococcus granulosus thymidylate synthase 0.0158 0.0179 0.0179
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0014 0.0431
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0061 0.0063
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.001 0.001
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0062 0.0062
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0007
Onchocerca volvulus 0.0072 0.0061 0.1909
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0164 0.0164
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0164 0.0164
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0002 0.0002
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0256 0.0313 0.0766
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2899 0.3946 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0009 0.0009
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0014 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0164 0.0164
Schistosoma mansoni ap endonuclease 0.0041 0.0018 0.0018
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Mycobacterium ulcerans beta-lactamase 0.0072 0.0061 0.0111
Mycobacterium ulcerans pyruvate carboxylase 0.2782 0.3785 0.9589
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0037 0.0038
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.094 0.094
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0005 0.0005
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.2757
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Brugia malayi dihydrofolate reductase family protein 0.2899 0.3946 0.409
Treponema pallidum pyruvate carboxylase subunit B 0.0256 0.0313 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0507
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2782 0.3785 0.6129
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0256 0.0313 0.0785
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0256 0.0313 0.0766
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0061 0.0061
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.099 0.1322 0.3462
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0061 0.0061
Brugia malayi Carboxyl transferase domain containing protein 0.7048 0.9648 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0629 0.0826 0.1143
Echinococcus granulosus GPCR family 2 0.0035 0.0009 0.0009
Toxoplasma gondii pyruvate carboxylase 0.2782 0.3785 0.3785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0018 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0061 0.0125
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0158 0.0179 0.0426
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.099 0.1322 0.332
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.099 0.1322 0.1322

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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