Detailed information for compound 615795

Basic information

Technical information
  • TDR Targets ID: 615795
  • Name: BAS 00460599
  • MW: 368.363 | Formula: C18H12N2O5S
  • H donors: 3 H acceptors: 5 LogP: 2.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c3c1cccc3c(=O)[nH]2
  • InChi: 1S/C18H12N2O5S/c21-17-12-6-3-5-11-15(9-8-14(19-17)16(11)12)26(24,25)20-13-7-2-1-4-10(13)18(22)23/h1-9,20H,(H,19,21)(H,22,23)
  • InChiKey: TYNXIZLQXIBWGQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000084834
  • SMR000019180
  • AG-690/10774036
  • 2-(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Echinococcus multilocularis lamin dm0 0.0085 0.0649 0.0633
Schistosoma mansoni glutamate synthase 0.0027 0.01 0.0098
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0027 0.01 0.0327
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0101 0.0793 0.3083
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0256 0.0282
Brugia malayi Intermediate filament tail domain containing protein 0.0085 0.0649 0.1139
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0027 0.01 0.0327
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0365 0.3261 0.5772
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0027 0.01 0.013
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0027 0.01 0.0327
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0027 0.01 0.6468
Trichomonas vaginalis apoptosis inducing factor, putative 0.0027 0.01 0.013
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0101 0.0793 0.3083
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Echinococcus multilocularis tumor protein p63 0.1085 1 1
Onchocerca volvulus 0.0043 0.0256 0.0373
Loa Loa (eye worm) hypothetical protein 0.0023 0.0068 0.0091
Schistosoma mansoni smad 0.0024 0.0079 0.0072
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0068 0.0051
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0068 0.0079
Schistosoma mansoni sulfide quinone reductase 0.0027 0.01 0.0098
Loa Loa (eye worm) hypothetical protein 0.0365 0.3261 0.5765
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0256 0.0282
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0681 0.0778
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0086 0.065 0.0635
Trypanosoma cruzi trypanothione reductase, putative 0.0291 0.2572 1
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0027 0.01 0.0327
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0027 0.01 0.0389
Schistosoma mansoni rotamase 0.0032 0.0153 0.0159
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0256 0.0938
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.035 0.1303
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0027 0.01 0.0327
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0101 0.0793 1
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0027 0.01 0.0447
Leishmania major NADH dehydrogenase, putative 0.0027 0.01 0.0327
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1017 0.1171
Schistosoma mansoni Smad4 0.0024 0.0079 0.0072
Echinococcus granulosus dna polymerase kappa 0.0023 0.0068 0.0051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0115 0.0929 0.0914
Loa Loa (eye worm) intermediate filament protein 0.0085 0.0649 0.1123
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0256 0.0997
Leishmania major trypanothione reductase 0.0291 0.2572 1
Loa Loa (eye worm) programmed cell death 8 0.0027 0.01 0.0148
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0068 0.0079
Mycobacterium tuberculosis Conserved protein 0.0043 0.0256 0.0282
Leishmania major hypothetical protein, conserved 0.0027 0.01 0.0327
Loa Loa (eye worm) hypothetical protein 0.0041 0.0235 0.0388
Plasmodium falciparum ferrodoxin reductase-like protein 0.0027 0.01 0.0327
Plasmodium falciparum thioredoxin reductase 0.0291 0.2572 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Mycobacterium tuberculosis Conserved protein 0.0043 0.0256 0.0282
Leishmania major cathepsin L-like protease 0.0068 0.0486 0.1836
Schistosoma mansoni hypothetical protein 0.0027 0.01 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0256 0.0282
Trichomonas vaginalis esterase, putative 0.0043 0.0256 0.0373
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0115 0.0929 0.0914
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.0431 0.162
Loa Loa (eye worm) Smad1 0.0024 0.0079 0.011
Giardia lamblia Thioredoxin reductase 0.0027 0.01 0.0447
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.0681 0.0665
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0738 0.6754 1
Brugia malayi cytoplasmic intermediate filament protein 0.0046 0.0278 0.0481
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Trichomonas vaginalis glutathione reductase, putative 0.0101 0.0793 0.1208
Schistosoma mansoni glutamate synthase 0.0027 0.01 0.0098
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0101 0.0793 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0027 0.01 0.0084
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0027 0.01 0.0049
Plasmodium falciparum glutathione reductase 0.0291 0.2572 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0089 0.0681 0.2599
Brugia malayi glutathione reductase 0.0291 0.2572 0.4551
Mycobacterium ulcerans beta-lactamase 0.0043 0.0256 0.2601
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0101 0.0793 0.0909
Echinococcus multilocularis dna polymerase eta 0.0023 0.0068 0.0051
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0032 0.0153 0.0242
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0027 0.01 0.0049
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0027 0.01 0.0327
Loa Loa (eye worm) glutathione reductase 0.0291 0.2572 0.4542
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0089 0.0681 0.0778
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0089 0.0681 0.0665
Plasmodium vivax SET domain protein, putative 0.0089 0.0681 0.2599
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0027 0.01 0.0084
Echinococcus granulosus tar DNA binding protein 0.0125 0.1017 0.1002
Trypanosoma cruzi trypanothione reductase, putative 0.0101 0.0793 0.3038
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0027 0.01 0.0148
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0101 0.0793 0.3038
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0027 0.01 0.0327
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0101 0.0793 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Giardia lamblia NADH oxidase lateral transfer candidate 0.0101 0.0793 1
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0027 0.01 0.0084
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0074 0.0543 0.0951
Leishmania major cathepsin L-like protease 0.0068 0.0486 0.1836
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0027 0.01 0.0447
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.0486 0.1836
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0256 0.0281
Brugia malayi Latrophilin receptor protein 2 0.0115 0.0929 0.1636
Loa Loa (eye worm) thioredoxin reductase 0.0291 0.2572 0.4542
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0664 0.6061 0.8958
Loa Loa (eye worm) MH2 domain-containing protein 0.0359 0.3209 0.5672
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Loa Loa (eye worm) hypothetical protein 0.004 0.0221 0.0363
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Onchocerca volvulus 0.0705 0.6445 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0115 0.0929 0.0914
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0041 0.0235 0.0219
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Onchocerca volvulus 0.0085 0.0649 0.0983
Onchocerca volvulus 0.0159 0.1335 0.2051
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0256 0.2601
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0027 0.01 0.0166
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0664 0.6061 0.8963
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0256 0.024
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0068 0.0263
Trypanosoma brucei NADH dehydrogenase 0.0027 0.01 0.0389
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0027 0.01 0.0327
Treponema pallidum NADH oxidase 0.0101 0.0793 1
Brugia malayi Thioredoxin reductase 0.0291 0.2572 0.4551
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0041 0.0235 0.0219
Leishmania major DNA polymerase eta, putative 0.0023 0.0068 0.02
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Echinococcus multilocularis lamin 0.0085 0.0649 0.0633
Brugia malayi latrophilin 2 splice variant baaae 0.0249 0.2181 0.3858
Schistosoma mansoni smad1 5 8 and 0.0024 0.0079 0.0072
Brugia malayi beta-lactamase family protein 0.0043 0.0256 0.0443
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Schistosoma mansoni DNA polymerase eta 0.0023 0.0068 0.006
Giardia lamblia Glutamate synthase 0.0027 0.01 0.0447
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0101 0.0793 0.1085
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0101 0.0793 0.3038
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0085 0.0649 0.1123
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0068 0.0263
Loa Loa (eye worm) hypothetical protein 0.0115 0.0929 0.1621
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0256 0.0282
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0027 0.01 0.6468
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1017 0.1778
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0046 0.0278 0.0464
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Echinococcus granulosus dna polymerase eta 0.0023 0.0068 0.0051
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0027 0.01 0.0327
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0027 0.01 0.0447
Plasmodium vivax ferrodoxin reductase, putative 0.0027 0.01 0.0327
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0068 0.02
Echinococcus granulosus glutamate synthase 0.0027 0.01 0.0084
Schistosoma mansoni cellular tumor antigen P53 0.0159 0.1335 0.1544
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0079 0.011
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0027 0.01 0.6468
Brugia malayi Pre-SET motif family protein 0.0089 0.0681 0.1196
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Plasmodium vivax glutathione reductase, putative 0.0291 0.2572 1
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0027 0.01 0.0447
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0101 0.0793 0.0778
Mycobacterium ulcerans glutamate synthase subunit beta 0.0027 0.01 0.0447
Brugia malayi MH1 domain containing protein 0.0024 0.0079 0.0127
Echinococcus multilocularis muscleblind protein 1 0.018 0.1537 0.1523
Schistosoma mansoni hypothetical protein 0.0115 0.0929 0.1068
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0027 0.01 0.0447
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0101 0.0793 0.3038
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0256 0.0373
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0738 0.6754 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0146 0.0505
Schistosoma mansoni smad1 5 8 and 0.0024 0.0079 0.0072
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0101 0.0793 0.3038
Leishmania major hypothetical protein, conserved 0.0027 0.01 0.0327
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Leishmania major DNA polymerase kappa, putative 0.0023 0.0068 0.02
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0101 0.0793 0.3083
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0027 0.01 0.0389
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Leishmania major hypothetical protein, conserved 0.0043 0.0256 0.0938
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0115 0.0929 0.0914
Mycobacterium tuberculosis Probable reductase 0.0664 0.6061 0.8963
Loa Loa (eye worm) RNA binding protein 0.0125 0.1017 0.1778
Trypanosoma brucei unspecified product 0.0023 0.0068 0.0263
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Toxoplasma gondii ABC1 family protein 0.0043 0.0256 0.0938
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0027 0.01 0.0084
Plasmodium vivax thioredoxin reductase, putative 0.0291 0.2572 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0093 0.0299
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0027 0.01 0.0389
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0486 0.1836
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0027 0.01 0.0049
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0027 0.01 0.0447
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0101 0.0793 0.3083
Loa Loa (eye worm) hypothetical protein 0.018 0.1537 0.2702
Brugia malayi beta-lactamase family protein 0.0043 0.0256 0.0443
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1017 0.1002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0256 0.0426
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0079 0.0062
Brugia malayi Pre-SET motif family protein 0.0619 0.5644 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0256 0.0282
Brugia malayi intermediate filament protein 0.0085 0.0649 0.1139
Schistosoma mansoni smad1 5 8 and 0.0024 0.0079 0.0072
Onchocerca volvulus 0.0085 0.0649 0.0983
Brugia malayi MH2 domain containing protein 0.0024 0.0079 0.0127
Echinococcus multilocularis expressed protein 0.0032 0.0153 0.0136
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0068 0.02
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0101 0.0793 0.3038
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0027 0.01 0.0084
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0486 0.1836
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0256 0.0235
Loa Loa (eye worm) transcription factor SMAD2 0.0359 0.3209 0.5672
Trichomonas vaginalis set domain proteins, putative 0.0705 0.6445 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0027 0.01 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1017 0.1171
Loa Loa (eye worm) hypothetical protein 0.0159 0.1335 0.2343
Loa Loa (eye worm) hypothetical protein 0.0084 0.0634 0.1097
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0027 0.01 0.0327
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0027 0.01 0.0084
Mycobacterium ulcerans lipase LipD 0.0043 0.0256 0.2601
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0027 0.01 0.0084
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0068 0.02
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0068 0.0091
Echinococcus granulosus muscleblind protein 0.018 0.1537 0.1523
Echinococcus granulosus expressed protein 0.0032 0.0153 0.0136
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0101 0.0793 1
Trichomonas vaginalis rotamase, putative 0.0032 0.0146 0.0201
Brugia malayi hypothetical protein 0.0026 0.0093 0.0153
Echinococcus granulosus smad 0.0024 0.0079 0.0062
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0291 0.2572 0.3746
Loa Loa (eye worm) hypothetical protein 0.0089 0.0681 0.118
Trypanosoma cruzi NADH dehydrogenase, putative 0.0027 0.01 0.0327
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0146 0.0566
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0027 0.01 0.0084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0256 0.0373
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2448 0.356
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0027 0.01 0.013
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0027 0.01 0.0084
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0256 0.0282
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0101 0.0793 0.3038
Schistosoma mansoni lamin 0.0085 0.0649 0.074
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0027 0.01 0.0084
Echinococcus multilocularis Smad4 0.0024 0.0079 0.0062
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0068 0.0051
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0146 0.0505
Mycobacterium leprae Probable lipase LipE 0.0043 0.0256 0.0235
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1017 0.1171
Echinococcus multilocularis musashi 0.0085 0.0649 0.0633
Loa Loa (eye worm) hypothetical protein 0.0085 0.0649 0.1123
Brugia malayi Smad1 0.0024 0.0079 0.0127
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0027 0.01 0.013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0146 0.0505
Schistosoma mansoni glutamate synthase 0.0027 0.01 0.0098
Entamoeba histolytica thioredoxin reductase, putative 0.0027 0.01 0.6468
Toxoplasma gondii selenide, water dikinase 0.0027 0.01 0.0327
Schistosoma mansoni hypothetical protein 0.0115 0.0929 0.1068
Toxoplasma gondii NADPH-glutathione reductase 0.0101 0.0793 0.3038
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.01 0.0327
Schistosoma mansoni disulfide oxidoreductase 0.0027 0.01 0.0098
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0093 0.0299
Brugia malayi glutamate synthase 0.0027 0.01 0.0166
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0619 0.5644 1
Mycobacterium ulcerans NADH dehydrogenase 0.0027 0.01 0.0447
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0068 0.02
Loa Loa (eye worm) hypothetical protein 0.0249 0.2181 0.3847
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Trichomonas vaginalis glutamate synthase, putative 0.0027 0.01 0.013
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0027 0.01 0.0327
Schistosoma mansoni hypothetical protein 0.0115 0.0929 0.1068
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0101 0.0793 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1017 0.1171
Echinococcus multilocularis smad 0.0024 0.0079 0.0062
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Trypanosoma cruzi NADH dehydrogenase, putative 0.0027 0.01 0.0327
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0093 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0256 0.0373
Brugia malayi Calcitonin receptor-like protein seb-1 0.0365 0.3261 0.5772
Mycobacterium tuberculosis Probable oxidoreductase 0.0738 0.6754 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Mycobacterium tuberculosis Probable dehydrogenase 0.0664 0.6061 0.8963
Schistosoma mansoni hypothetical protein 0.0249 0.2181 0.2535
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.0486 0.1836
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0256 0.2601
Schistosoma mansoni intermediate filament proteins 0.0085 0.0649 0.074
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.0681 0.0665
Mycobacterium ulcerans dehydrogenase 0.0027 0.01 0.0447
Brugia malayi TAR-binding protein 0.0125 0.1017 0.1792
Leishmania major cathepsin L-like protease 0.0068 0.0486 0.1836
Loa Loa (eye worm) hypothetical protein 0.0027 0.01 0.0148
Mycobacterium ulcerans ferredoxin reductase 0.0027 0.01 0.0447
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0027 0.01 0.0389
Mycobacterium ulcerans monoxygenase 0.0027 0.01 0.0447
Trypanosoma brucei trypanothione reductase 0.0291 0.2572 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0256 0.0282
Leishmania major hypothetical protein, conserved 0.0026 0.0093 0.0299
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0256 0.0373
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0101 0.0793 0.0778
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0146 0.0505
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0027 0.01 0.6468
Loa Loa (eye worm) hypothetical protein 0.0026 0.0093 0.0136
Echinococcus multilocularis thioredoxin glutathione reductase 0.0294 0.2597 0.2585
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0256 0.0281
Onchocerca volvulus 0.0027 0.01 0.013
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0093 0.0299
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0068 0.0108
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0256 0.0938
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1017 0.1171
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0074 0.0543 0.0951
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0093 0.0361
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0027 0.01 0.0166
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0681 0.0778
Leishmania major hypothetical protein, conserved 0.0027 0.01 0.0327
Echinococcus multilocularis GPCR, family 2 0.0115 0.0929 0.0914
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1017 0.1792
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1017 0.1778
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0256 0.024
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Echinococcus granulosus lamin 0.0085 0.0649 0.0633
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0027 0.01 0.0327
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0101 0.0793 0.3038
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0256 0.0938
Onchocerca volvulus 0.0089 0.0681 0.1033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0101 0.0793 0.1395
Echinococcus granulosus Smad4 0.0024 0.0079 0.0062
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0027 0.01 0.0447
Trichomonas vaginalis mercuric reductase, putative 0.0101 0.0793 0.1208
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0079 0.0062
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0101 0.0793 0.3038
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0027 0.01 0.013
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0256 0.0282
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0027 0.01 0.0049
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0101 0.0793 0.3038
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0664 0.6061 0.8963
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0027 0.01 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0027 0.01 0.0447
Schistosoma mansoni lamin 0.0085 0.0649 0.074
Loa Loa (eye worm) beta-lactamase 0.0043 0.0256 0.0426
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0027 0.01 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.01 0.0327
Onchocerca volvulus 0.0043 0.0256 0.0373
Brugia malayi Cathepsin L-like precursor 0.0018 0.0017 0.0018
Schistosoma mansoni sulfide quinone reductase 0.0027 0.01 0.0098
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0027 0.01 0.013
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0032 0.0153 0.0259
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0068 0.006
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0101 0.0793 1
Schistosoma mansoni hypothetical protein 0.0115 0.0929 0.1068
Brugia malayi Muscleblind-like protein 0.018 0.1537 0.2714
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0115 0.0929 0.1636
Loa Loa (eye worm) hypothetical protein 0.004 0.0221 0.0363
Brugia malayi MH2 domain containing protein 0.0024 0.0079 0.0127
Brugia malayi MH1 domain containing protein 0.0024 0.0079 0.0127
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0664 0.6061 0.8963
Loa Loa (eye worm) hypothetical protein 0.018 0.1537 0.2702
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0068 0.0263
Trichomonas vaginalis glutamate synthase, putative 0.0027 0.01 0.013
Echinococcus multilocularis glutamate synthase 0.0027 0.01 0.0084
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0664 0.6061 0.8963
Brugia malayi beta-lactamase 0.0043 0.0256 0.0443
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0068 0.0051
Echinococcus granulosus lamin dm0 0.0085 0.0649 0.0633
Brugia malayi MH2 domain containing protein 0.0359 0.3209 0.568
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0027 0.01 0.6468
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0681 0.0778
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0101 0.0793 0.3038
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0068 0.006
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0027 0.01 0.0327
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0027 0.01 0.0166
Toxoplasma gondii thioredoxin reductase 0.0291 0.2572 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0115 0.0929 0.1621
Entamoeba histolytica disulphide oxidoreductase, putative 0.0027 0.01 0.6468
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0093 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0153 0.0212
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0068 0.0263
Echinococcus granulosus thioredoxin glutathione reductase 0.0294 0.2597 0.2585
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.01 0.0389
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0068 0.3954
Onchocerca volvulus 0.0043 0.0256 0.0373
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0027 0.01 0.0327
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0068 0.02
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0027 0.01 0.0084
Mycobacterium ulcerans hypothetical protein 0.0027 0.01 0.0447
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.0486 0.1888
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0027 0.01 0.0049
Trichomonas vaginalis rotamase, putative 0.0032 0.0153 0.0212
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0068 0.02
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0068 0.0108
Echinococcus multilocularis muscleblind protein 0.018 0.1537 0.1523
Echinococcus granulosus GPCR family 2 0.0115 0.0929 0.0914
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0079 0.0062
Mycobacterium ulcerans hypothetical protein 0.0043 0.0256 0.2601
Echinococcus granulosus intermediate filament protein 0.0085 0.0649 0.0633
Loa Loa (eye worm) hypothetical protein 0.0043 0.0256 0.0426
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0027 0.01 0.0327
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0093 0.0299
Plasmodium falciparum thioredoxin reductase 0.0101 0.0793 0.3038
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0146 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0365 0.3261 0.5765
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0079 0.0072
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0017 0.0018
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0079 0.0062
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0079 0.011
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0068 0.0263
Plasmodium falciparum glutathione reductase 0.0101 0.0793 0.3038
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0256 0.0443
Brugia malayi RNA binding protein 0.0125 0.1017 0.1792
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0738 0.6754 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0256 0.0373

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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) 30.1313 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (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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