Detailed information for compound 1239361

Basic information

Technical information
  • TDR Targets ID: 1239361
  • Name: 3-methyl-N-[4-[(1,4,7-trimethyl-2,3-dioxoquin oxalin-6-yl)sulfamoyl]phenyl]butanamide
  • MW: 458.531 | Formula: C22H26N4O5S
  • H donors: 2 H acceptors: 5 LogP: 2.14 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1C)n(C)c(=O)c(=O)n2C)C
  • InChi: 1S/C22H26N4O5S/c1-13(2)10-20(27)23-15-6-8-16(9-7-15)32(30,31)24-17-12-19-18(11-14(17)3)25(4)21(28)22(29)26(19)5/h6-9,11-13,24H,10H2,1-5H3,(H,23,27)
  • InChiKey: IRVUFXJILHMPTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-N-[4-[(1,4,7-trimethyl-2,3-dioxo-quinoxalin-6-yl)sulfamoyl]phenyl]butanamide
  • 3-methyl-N-[4-[(1,4,7-trimethyl-2,3-dioxo-6-quinoxalinyl)sulfamoyl]phenyl]butanamide
  • N-[4-[(2,3-diketo-1,4,7-trimethyl-quinoxalin-6-yl)sulfamoyl]phenyl]-3-methyl-butyramide
  • G221-0830
  • NCGC00129518-01

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 tuberculosis Probable conserved lipoprotein 0.0036 0.01 0.0272
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.01 0.0092
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0086 0.0646
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0693 0.2172
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0175 0.0175
Plasmodium vivax hypothetical protein, conserved 0.0036 0.01 0.119
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0106 0.0098
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.01 0.0287
Loa Loa (eye worm) acetyltransferase 0.0149 0.0938 0.1527
Loa Loa (eye worm) jmjC domain-containing protein 0.0128 0.078 0.127
Schistosoma mansoni cpg binding protein 0.0057 0.0256 0.0248
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.1074 0.1729
Brugia malayi jmjC domain containing protein 0.008 0.0429 0.0677
Schistosoma mansoni hypothetical protein 0.0085 0.0467 0.0459
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0025 0.0024 0.0024
Brugia malayi F/Y-rich N-terminus family protein 0.0044 0.0163 0.0243
Echinococcus granulosus cpg binding protein 0.0062 0.0296 0.0296
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0607 0.1897
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0078 0.0416 0.0416
Onchocerca volvulus 0.0036 0.01 0.0122
Schistosoma mansoni zinc finger protein 0.0029 0.0049 0.0042
Leishmania major trypanothione reductase 0.0046 0.0175 0.077
Schistosoma mansoni Smad4 0.0025 0.0021 0.0013
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.01 0.0272
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0112 0.0345
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0175 0.0513
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.01 0.0119
Echinococcus granulosus inositol monophosphatase 1 0.0074 0.0387 0.0387
Echinococcus granulosus chromobox protein 1 0.007 0.0352 0.0352
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 0.2096 1
Brugia malayi Bromodomain containing protein 0.0046 0.018 0.0271
Leishmania major hypothetical protein, conserved 0.0034 0.0086 0.0346
Leishmania major hypothetical protein, conserved 0.0028 0.0041 0.0126
Loa Loa (eye worm) transcription factor SMAD2 0.0365 0.2533 0.4126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0502 0.0817
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.01 0.0287
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.01 0.0119
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0607 0.1897
Schistosoma mansoni smad1 5 8 and 0.0025 0.0021 0.0013
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.1632 0.1632
Plasmodium falciparum glutathione reductase 0.0046 0.0175 0.5776
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0607 0.1897
Loa Loa (eye worm) hypothetical protein 0.0031 0.0064 0.0104
Onchocerca volvulus 0.0135 0.0833 0.1171
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0148 0.0188
Schistosoma mansoni hypothetical protein 0.005 0.0203 0.0196
Brugia malayi jmjC domain containing protein 0.0202 0.1332 0.2152
Schistosoma mansoni hypothetical protein 0.0078 0.0416 0.0408
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0086 0.0223
Onchocerca volvulus 0.0036 0.01 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0622 0.0992
Brugia malayi Thioredoxin reductase 0.0046 0.0175 0.0262
Loa Loa (eye worm) beta-lactamase 0.0036 0.01 0.0162
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0086 0.2644
Schistosoma mansoni cpg binding protein 0.0062 0.0296 0.0288
Loa Loa (eye worm) glutaminase 0.0558 0.3962 0.6453
Echinococcus granulosus FTZ F1 alpha 0.0422 0.2956 0.2956
Onchocerca volvulus 0.0031 0.0064 0.007
Echinococcus multilocularis PHD finger protein rhinoceros 0.0062 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0062 0.0294 0.0286
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0387 0.1684
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0112 0.0467
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0112 0.0345
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.0086 0.1011
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0126 0.0157
Schistosoma mansoni hypothetical protein 0.0078 0.0416 0.0408
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0502 0.0502
Schistosoma mansoni hypothetical protein 0.0169 0.1087 0.108
Trypanosoma brucei glucosidase, putative 0.0037 0.0112 0.0345
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.01 0.0272
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.0086 0.0223
Brugia malayi MH1 domain containing protein 0.0025 0.0021 0.001
Schistosoma mansoni survival motor neuron protein 0.005 0.0203 0.0196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0853 0.6139 1
Schistosoma mansoni cpg binding protein 0.0062 0.0296 0.0288
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.2096 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0074 0.0387 0.053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Echinococcus granulosus PHD finger protein rhinoceros 0.0062 0.0294 0.0294
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0381 0.0381
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0155 0.0555
Brugia malayi beta-lactamase 0.0036 0.01 0.0139
Brugia malayi hypothetical protein 0.0153 0.0967 0.1556
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0106 0.0622 0.0622
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0202 0.1332 0.1332
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0041 0.102
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0112 0.0136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0387 0.1684
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0112 0.0136
Loa Loa (eye worm) bromodomain containing protein 0.0023 0.001 0.0016
Leishmania major mitochondrial DNA polymerase beta 0.0306 0.2096 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0247 0.1665 0.2695
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0112 0.0159
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0112 0.0136
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0155 0.0555
Loa Loa (eye worm) glutathione reductase 0.0046 0.0175 0.0285
Brugia malayi MH2 domain containing protein 0.0025 0.0021 0.001
Toxoplasma gondii histone lysine methyltransferase SET1 0.0118 0.071 0.9445
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.0906 0.4211
Schistosoma mansoni jumonji domain containing protein 0.0161 0.1025 0.1018
Loa Loa (eye worm) hypothetical protein 0.0247 0.1665 0.2712
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0175 0.2207
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0042 0.0036
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0047 0.004
Loa Loa (eye worm) latrophilin receptor protein 2 0.0078 0.0416 0.0677
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0067 0.0329 0.1008
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0112 0.0148
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.01 0.0272
Trichomonas vaginalis chromobox protein, putative 0.007 0.0352 0.048
Mycobacterium ulcerans hypothetical protein 0.0036 0.01 0.0216
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0294 0.3572
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0106 0.0106
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0123 0.0749 0.0749
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0086 0.0223
Schistosoma mansoni hypothetical protein 0.0078 0.0416 0.0408
Schistosoma mansoni bromodomain containing protein 0.0078 0.0411 0.0403
Entamoeba histolytica hypothetical protein 0.0036 0.0106 0.0138
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0112 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0135 0.0833 0.0826
Echinococcus multilocularis zinc finger protein 0.0029 0.0049 0.0049
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0607 0.1897
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0148 0.0191
Loa Loa (eye worm) jmjC domain-containing protein 0.008 0.0429 0.0699
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Toxoplasma gondii hypothetical protein 0.0049 0.0202 0.2271
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0693 0.2172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0502 0.0494
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0224 0.0893
Schistosoma mansoni smad1 5 8 and 0.0025 0.0021 0.0013
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0693 0.2172
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1514 0.4801
Brugia malayi latrophilin 2 splice variant baaae 0.0169 0.1087 0.175
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0074 0.0387 0.4886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0502 0.0494
Schistosoma mansoni alpha-glucosidase 0.0144 0.0902 0.0895
Mycobacterium leprae conserved hypothetical protein 0.0036 0.01 0.0272
Brugia malayi PHD-finger family protein 0.0062 0.0294 0.0456
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0749 0.0742
Schistosoma mansoni microtubule-associated protein tau 0.1376 1 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.1087 0.177
Plasmodium vivax glutathione reductase, putative 0.0046 0.0175 0.2208
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0041 0.039
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0024 0.0015 0.0024
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.01 0.0272
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.0086 0.0086
Schistosoma mansoni alpha-glucosidase 0.0144 0.0902 0.0895
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0175 0.1891
Loa Loa (eye worm) hypothetical protein 0.0028 0.0041 0.0066
Brugia malayi Pre-SET motif family protein 0.0853 0.6139 1
Brugia malayi hypothetical protein 0.0243 0.1632 0.2641
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0021 0.0034
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.1027 0.3242
Echinococcus multilocularis peregrin 0.0068 0.034 0.034
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0062 0.0294 0.0286
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0078 0.0416 0.0655
Loa Loa (eye worm) hypothetical protein 0.0055 0.024 0.0391
Mycobacterium tuberculosis Conserved protein 0.0036 0.01 0.0272
Loa Loa (eye worm) hypothetical protein 0.0078 0.0416 0.0677
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0112 0.0136
Loa Loa (eye worm) hypothetical protein 0.0039 0.0126 0.0205
Plasmodium falciparum thioredoxin reductase 0.0046 0.0175 0.5776
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.01 0.0119
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0008 0.0013
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.0086 0.0646
Brugia malayi glutathione reductase 0.0046 0.0175 0.0262
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0025 0.0024 0.0024
Loa Loa (eye worm) glutaminase 2 0.0558 0.3962 0.6453
Schistosoma mansoni hypothetical protein 0.0036 0.0106 0.0098
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0021 0.0013
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.01 0.0272
Mycobacterium tuberculosis Conserved protein 0.0036 0.01 0.0272
Loa Loa (eye worm) MH2 domain-containing protein 0.0365 0.2533 0.4126
Onchocerca volvulus 0.0153 0.0967 0.1362
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0294 0.3823
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Echinococcus granulosus lysine specific demethylase 5A 0.008 0.0429 0.0429
Echinococcus granulosus geminin 0.0695 0.4968 0.4968
Brugia malayi Bromodomain containing protein 0.0091 0.0508 0.0805
Toxoplasma gondii ABC1 family protein 0.0036 0.01 0.0832
Loa Loa (eye worm) hypothetical protein 0.0106 0.062 0.101
Schistosoma mansoni hypothetical protein 0.0398 0.2777 0.2771
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0074 0.0387 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0607 0.1897
Echinococcus multilocularis chromobox protein 1 0.007 0.0352 0.0352
Schistosoma mansoni chromobox protein 0.007 0.0352 0.0345
Trichomonas vaginalis glutaminase, putative 0.0558 0.3962 0.5642
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0126 0.0159
Echinococcus multilocularis Smad4 0.0025 0.0021 0.0021
Mycobacterium tuberculosis Conserved protein 0.0036 0.01 0.0272
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0175 0.0226
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0112 0.1001
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.01 0.0119
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0041 0.102
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.1074 0.1749
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0021 0.0034
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.0938 0.0938
Schistosoma mansoni jumonji/arid domain-containing protein 0.008 0.0429 0.0422
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0387 0.1684
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.01 0.0272
Loa Loa (eye worm) hypothetical protein 0.0106 0.0622 0.1014
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0129 0.0173
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.01 0.0162
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.01 0.0092
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0175 0.0175
Onchocerca volvulus 0.005 0.0203 0.027
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0021 0.0021
Mycobacterium leprae Probable lipase LipE 0.0036 0.01 0.0272
Echinococcus multilocularis geminin 0.0695 0.4968 0.4968
Plasmodium falciparum phd finger protein, putative 0.0062 0.0294 1
Onchocerca volvulus 0.0097 0.0552 0.0769
Echinococcus multilocularis FTZ F1 alpha 0.0106 0.0622 0.0622
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0447 0.3137 0.7911
Echinococcus multilocularis jumonji domain containing protein 0.0086 0.0473 0.0473
Schistosoma mansoni hypothetical protein 0.0695 0.4968 0.4964
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0155 0.0555
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0175 0.0652
Entamoeba histolytica hypothetical protein 0.0036 0.0106 0.0138
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0607 0.1897
Echinococcus multilocularis microtubule associated protein 2 0.1376 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0134 0.0134
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0294 0.3572
Brugia malayi PHD-finger family protein 0.0026 0.0026 0.0019
Loa Loa (eye worm) hypothetical protein 0.0079 0.0422 0.0687
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.01 0.0216
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0155 0.0555
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.01 0.0287
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0106 0.0622 0.0615
Brugia malayi Bromodomain containing protein 0.0068 0.034 0.0531
Mycobacterium ulcerans lipase LipD 0.0036 0.01 0.0216
Schistosoma mansoni lipoxygenase 0.0085 0.0463 0.0456
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0914 0.6593 1
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.0938 0.1507
Trypanosoma brucei trypanothione reductase 0.0046 0.0175 0.0652
Loa Loa (eye worm) PHD-finger family protein 0.0062 0.0294 0.0478
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0078 0.0416 0.0416
Brugia malayi follicle stimulating hormone receptor 0.0228 0.1525 0.2466
Echinococcus multilocularis cpg binding protein 0.0062 0.0296 0.0296
Leishmania major hypothetical protein, conserved 0.0036 0.01 0.0409
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0067 0.0329 0.1008
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0021 0.0021
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.01 0.01
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0387 0.053
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.0906 0.4211
Loa Loa (eye worm) hypothetical protein 0.0062 0.0294 0.0478
Mycobacterium ulcerans glutaminase 0.0558 0.3962 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0914 0.6593 0.9405
Schistosoma mansoni glutaminase 0.0558 0.3962 0.3957
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0074 0.0387 0.053
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0175 0.0226
Schistosoma mansoni smad 0.0025 0.0021 0.0013
Loa Loa (eye worm) inositol-1 0.0074 0.0387 0.063
Echinococcus granulosus GPCR family 2 0.0078 0.0416 0.0416
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0112 0.0112
Brugia malayi beta-lactamase family protein 0.0036 0.01 0.0139
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.0732 0.0732
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0106 0.0622 0.0622
Plasmodium vivax SET domain protein, putative 0.0123 0.0749 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.01 0.01
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.0086 0.0086
Onchocerca volvulus 0.0036 0.01 0.0122
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0447 0.3137 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0502 0.0502
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0502 0.0502
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0112 0.0136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0502 0.0494
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0142 0.089 0.0883
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0112 0.0148
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.1074 0.1074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0142 0.089 0.0883
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0142 0.089 0.089
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0106 0.0106
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0112 0.0136
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.0086 0.0223
Brugia malayi MH2 domain containing protein 0.0365 0.2533 0.4112
Echinococcus granulosus dnaJ subfamily B 0.0398 0.2777 0.2777
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0502 0.0796
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0175 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0106 0.0622 0.0992
Toxoplasma gondii thioredoxin reductase 0.0046 0.0175 0.1892
Loa Loa (eye worm) hypothetical protein 0.0153 0.0967 0.1576
Echinococcus granulosus chromobox protein 1 0.007 0.0352 0.0352
Echinococcus multilocularis inositol monophosphatase 1 0.0074 0.0387 0.0387
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0047 0.0047
Trichomonas vaginalis esterase, putative 0.0036 0.01 0.0119
Echinococcus granulosus jumonji domain containing protein 0.0086 0.0473 0.0473
Onchocerca volvulus 0.0971 0.7009 1
Brugia malayi Inositol-1 0.0074 0.0387 0.0608
Loa Loa (eye worm) hypothetical protein 0.0024 0.0015 0.0024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0123 0.0749 1
Schistosoma mansoni inositol monophosphatase 0.0074 0.0387 0.0379
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.01 0.0216
Echinococcus multilocularis chromobox protein 1 0.007 0.0352 0.0352
Trichomonas vaginalis chromobox protein, putative 0.007 0.0352 0.048
Loa Loa (eye worm) Smad1 0.0025 0.0021 0.0034
Echinococcus granulosus peregrin 0.0068 0.034 0.034
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0203 0.0308
Trichomonas vaginalis set domain proteins, putative 0.0971 0.7009 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0175 0.0175
Brugia malayi hypothetical protein 0.0036 0.0106 0.0149
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.0759 0.0751
Brugia malayi MH2 domain containing protein 0.0025 0.0021 0.001
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.0732 0.0732
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0112 0.0182
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0247 0.1665 0.2712
Schistosoma mansoni smad1 5 8 and 0.0025 0.0021 0.0013
Mycobacterium ulcerans hypothetical protein 0.0161 0.1027 0.2565
Brugia malayi chromobox protein homolog 3 0.0039 0.0126 0.0182
Loa Loa (eye worm) hypothetical protein 0.0142 0.089 0.145
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0039 0.0124 0.0116
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.01 0.0139
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.1632 0.1632
Brugia malayi hypothetical protein 0.0028 0.0041 0.0043
Entamoeba histolytica hypothetical protein 0.0036 0.0106 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0502 0.0502
Brugia malayi Smad1 0.0025 0.0021 0.001
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0447 0.3137 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Echinococcus granulosus lysosomal alpha glucosidase 0.0167 0.1074 0.1074
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0074 0.0387 0.0943
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0112 0.0112
Brugia malayi MH1 domain containing protein 0.0025 0.0021 0.001
Schistosoma mansoni inositol monophosphatase 0.0074 0.0387 0.0379
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0126 0.0157
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0021 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0078 0.0416 0.0416
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.0906 0.4284
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0352 0.0574
Onchocerca volvulus Alhambra homolog 0.0062 0.0294 0.0399
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0134 0.0134
Echinococcus multilocularis GPCR, family 2 0.0078 0.0416 0.0416
Entamoeba histolytica hypothetical protein 0.0036 0.0106 0.0138
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0693 0.2172
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.0888 0.0888
Schistosoma mansoni lipoxygenase 0.0121 0.0732 0.0725
Brugia malayi beta-lactamase family protein 0.0036 0.01 0.0139
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.2777 0.2777
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0175 0.2208
Schistosoma mansoni hypothetical protein 0.0078 0.0416 0.0408
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0148 0.0188
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.2096 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0042 0.0036
Loa Loa (eye worm) hypothetical protein 0.0243 0.1632 0.2658
Brugia malayi Latrophilin receptor protein 2 0.0078 0.0416 0.0655
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0074 0.0387 0.0566
Mycobacterium ulcerans beta-lactamase 0.0036 0.01 0.0216
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.01 0.0119
Giardia lamblia PHD finger protein 15 0.0062 0.0294 0.0255
Schistosoma mansoni hypothetical protein 0.0695 0.4968 0.4964
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0914 0.6593 1
Echinococcus multilocularis smad 0.0025 0.0021 0.0021
Schistosoma mansoni alpha glucosidase 0.0037 0.0112 0.0104
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0202 0.1332 0.1332
Brugia malayi Pre-SET motif family protein 0.0123 0.0749 0.1199
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0112 0.0136
Echinococcus granulosus Smad4 0.0025 0.0021 0.0021
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0256 0.0417
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0074 0.0387 0.1788
Treponema pallidum fructose-bisphosphate aldolase 0.0914 0.6593 0.5
Brugia malayi Heterochromatin protein 1 0.007 0.0352 0.0551
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0118 0.0707 0.0707
Schistosoma mansoni jumonji/arid domain-containing protein 0.008 0.0429 0.0422
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0078 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0026 0.0026 0.0043
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0175 0.1891
Echinococcus granulosus smad 0.0025 0.0021 0.0021
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.0086 0.0141
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0129 0.4139
Brugia malayi Calcitonin receptor-like protein seb-1 0.0247 0.1665 0.2695
Mycobacterium tuberculosis Probable reductase 0.0104 0.0607 0.1897
Onchocerca volvulus 0.0057 0.0256 0.0345
Loa Loa (eye worm) hypothetical protein 0.0049 0.02 0.0326
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.1525 0.2484
Echinococcus granulosus zinc finger protein 0.0029 0.0049 0.0049
Brugia malayi glutaminase DH11.1 0.0558 0.3962 0.6445
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0112 0.0136
Brugia malayi Augmenter of liver regeneration 0.0034 0.0086 0.0117
Brugia malayi PHD-finger family protein 0.0035 0.0094 0.0129
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0381 0.0381
Schistosoma mansoni chromobox protein 0.007 0.0352 0.0345
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.0938 0.0931
Giardia lamblia Fructose-bisphosphate aldolase 0.0914 0.6593 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.1074 0.1074
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0021 0.0021
Brugia malayi CXXC zinc finger family protein 0.0057 0.0256 0.0394
Loa Loa (eye worm) hypothetical protein 0.0024 0.0015 0.0024
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.039 0.039
Echinococcus granulosus histone lysine methyltransferase setb 0.0142 0.089 0.089
Loa Loa (eye worm) hypothetical protein 0.0036 0.01 0.0162
Loa Loa (eye worm) hypothetical protein 0.0043 0.0154 0.0251

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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