Detailed information for compound 1357379

Basic information

Technical information
  • TDR Targets ID: 1357379
  • Name: N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino ]-2-oxoethyl]thiophene-2-carboxamide
  • MW: 348.417 | Formula: C17H20N2O4S
  • H donors: 1 H acceptors: 2 LogP: 2.18 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(cccc1OC)CN(C(=O)CNC(=O)c1cccs1)C
  • InChi: 1S/C17H20N2O4S/c1-19(11-12-6-4-7-13(22-2)16(12)23-3)15(20)10-18-17(21)14-8-5-9-24-14/h4-9H,10-11H2,1-3H3,(H,18,21)
  • InChiKey: BZYMWGWJWWNCOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-thiophenecarboxamide
  • N-[2-[(2,3-dimethoxybenzyl)-methyl-amino]-2-keto-ethyl]thiophene-2-carboxamide

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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.0482 0.0483
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0309 0.9266 0.9263
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0757 0.0718
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0433 0.0399
Loa Loa (eye worm) intermediate filament protein 0.0053 0.1286 0.1355
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1685 0.1731
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0115 0.3218 0.3403
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.0482 0.0483
Brugia malayi fructose-1,6-bisphosphatase 0.0309 0.9266 1
Schistosoma mansoni zinc finger protein 0.0015 0.0098 0.0063
Brugia malayi nuclear receptor NHR-88 0.0027 0.0482 0.052
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0169 0.0078
Echinococcus granulosus histone lysine methyltransferase setb 0.0045 0.1051 0.1019
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1062 0.103
Loa Loa (eye worm) hypothetical protein 0.0163 0.4727 0.5082
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.1685 0.1818
Loa Loa (eye worm) hypothetical protein 0.0014 0.0083 0.0052
Brugia malayi orphan nuclear receptor NR2E1 0.0013 0.0036 0.0038
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0722 0.0744
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.1051 0.1019
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.742 0.8007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0482 0.052
Loa Loa (eye worm) hypothetical protein 0.0053 0.1286 0.1355
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.6762 0.7287
Loa Loa (eye worm) hypothetical protein 0.0025 0.0403 0.0398
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Brugia malayi Pre-SET motif family protein 0.0029 0.0537 0.0579
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0169 0.0134
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Loa Loa (eye worm) hypothetical protein 0.0014 0.0083 0.0052
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.0482 0.0448
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0131 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0169 0.0078
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.072 0.0687
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2888 0.4282
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0722 0.0689
Leishmania major hypothetical protein, conserved 0.0035 0.0722 0.0681
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0722 0.0918
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0221 0.1433
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.0482 0.0448
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.1685 0.1655
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Brugia malayi beta-lactamase 0.0035 0.0722 0.0779
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0482 0.0448
Trichomonas vaginalis set domain proteins, putative 0.0229 0.6775 0.9116
Brugia malayi nuclear receptor RXR 0.0013 0.0036 0.0038
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.1685 0.1787
Echinococcus granulosus lamin 0.0053 0.1286 0.1255
Brugia malayi nuclear hormone receptor family member odr-7 0.0013 0.0036 0.0038
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5018 0.6706
Echinococcus granulosus zinc finger protein 0.0019 0.0227 0.0192
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0169 0.0078
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.0482 0.052
Plasmodium vivax SET domain protein, putative 0.0029 0.0537 0.4694
Schistosoma mansoni ap endonuclease 0.0019 0.0221 0.0186
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0504 0.047
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.106 0.1028
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0131 0.0096
Mycobacterium tuberculosis Probable reductase 0.0104 0.2888 0.4282
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0014 0.0083 0.0048
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0169 0.0134
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0521 0.0526
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.0482 0.052
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0221 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.742 0.8
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0757 0.075
Schistosoma mansoni inositol monophosphatase 0.0036 0.0757 0.0724
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.0482 0.0448
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Brugia malayi isocitrate dehydrogenase 0.0017 0.0169 0.0183
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.028 0.0303
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Brugia malayi Nuclear hormone receptor-like 1 0.0014 0.0083 0.009
Onchocerca volvulus 0.0053 0.1286 0.1856
Schistosoma mansoni ap endonuclease 0.0019 0.0221 0.0186
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0169 0.0134
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0131 0.0036
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.0482 0.0483
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.106 0.111
Echinococcus granulosus lamin dm0 0.0053 0.1286 0.1255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.106 0.1028
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0757 0.0858
Brugia malayi conserved hypotetical protein 0.0013 0.0036 0.0038
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1062 0.103
Echinococcus granulosus bloom syndrome protein 0.0021 0.028 0.0246
Trypanosoma brucei trypanothione reductase 0.0046 0.1062 0.1051
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Loa Loa (eye worm) hypothetical protein 0.0014 0.0083 0.0052
Onchocerca volvulus 0.0027 0.0482 0.0662
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0722 0.0681
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0537 0.0503
Leishmania major 0.0309 0.9266 1
Brugia malayi Nuclear hormone receptor E75 0.0013 0.0036 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.106 0.1028
Onchocerca volvulus 0.0229 0.6775 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Toxoplasma gondii exonuclease III APE 0.0019 0.0221 0.0167
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0309 0.9266 0.9263
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1436 0.1406
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0115 0.3218 0.3403
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Brugia malayi intermediate filament protein 0.0053 0.1286 0.1388
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0309 0.9266 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0537 0.0503
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0722 0.0811
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0169 0.0412
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0433 0.0399
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0131 0.007
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0482 0.0448
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.0482 0.0448
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0169 0.0111
Brugia malayi hypothetical protein 0.0163 0.4727 0.5101
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0259 0.0242
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0169 0.0078
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0131 0.0036
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0169 0.0111
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0482 0.052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0221 0.0133
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0131 0.007
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0221 0.0133
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0757 0.0718
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0482 0.052
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0309 0.9266 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1768 0.1877
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0722 0.0681
Leishmania major trypanothione reductase 0.0046 0.1062 0.1051
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.0482 0.0448
Echinococcus multilocularis lamin 0.0053 0.1286 0.1255
Mycobacterium tuberculosis Conserved protein 0.0035 0.0722 0.0918
Brugia malayi hypothetical protein 0.0013 0.0036 0.0038
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0823 0.079
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0202 0.0764
Plasmodium falciparum thioredoxin reductase 0.0046 0.1062 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.106 0.1028
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0757 0.0724
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Brugia malayi PHD-finger family protein 0.0024 0.0388 0.0419
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0131 0.0596
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0221 0.1501
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.0482 0.052
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.1685 0.1731
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1685 0.1731
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0131 0.0036
Echinococcus multilocularis geminin 0.0332 1 1
Brugia malayi hypothetical protein 0.0014 0.0083 0.009
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Onchocerca volvulus 0.0053 0.1286 0.1856
Echinococcus multilocularis lamin dm0 0.0053 0.1286 0.1255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.106 0.1028
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.017 0.0145
Brugia malayi ecdysteroid receptor 0.0027 0.0482 0.052
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.0482 0.0448
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0169 0.0145
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.5909 0.6363
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0014 0.0083 0.0048
Loa Loa (eye worm) hypothetical protein 0.0014 0.0083 0.0052
Schistosoma mansoni lamin 0.0053 0.1286 0.1255
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.0482 0.052
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5018 0.6706
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.3431 0.3408
Echinococcus multilocularis bloom syndrome protein 0.0021 0.028 0.0246
Mycobacterium leprae Probable lipase LipE 0.0035 0.0722 0.0317
Onchocerca volvulus 0.0029 0.0537 0.0744
Onchocerca volvulus Bile acid receptor homolog 0.0027 0.0482 0.0662
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.0482 0.0448
Onchocerca volvulus 0.0035 0.0722 0.1019
Schistosoma mansoni inositol monophosphatase 0.0036 0.0757 0.0724
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0309 0.9266 1
Trichomonas vaginalis esterase, putative 0.0035 0.0722 0.0811
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0537 0.0503
Schistosoma mansoni hypothetical protein 0.0122 0.3431 0.3408
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0169 0.0183
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2888 0.4282
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0722 0.0681
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.325 1
Brugia malayi glutathione reductase 0.0046 0.1062 0.1146
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0131 0.0141
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.1685 0.1655
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.106 0.1028
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0537 0.0511
Mycobacterium ulcerans hypothetical protein 0.0035 0.0722 0.9449
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0083 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.0482 0.0483
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0221 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0309 0.9266 0.9263
Brugia malayi Pre-SET motif family protein 0.0201 0.5909 0.6377
Brugia malayi follicle stimulating hormone receptor 0.0228 0.6762 0.7298
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1062 0.1112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0482 0.0448
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.072 0.0687
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0317 0.0282
Toxoplasma gondii ABC1 family protein 0.0035 0.0722 0.0712
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.0482 0.0448
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.1286 0.1388
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.015 0.0124
Brugia malayi nuclear receptor NHR-88 0.0013 0.0036 0.0038
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2888 0.4282
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0169 0.0134
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0115 0.3218 0.3403
Loa Loa (eye worm) glutathione reductase 0.0046 0.1062 0.1112
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0722 0.0918
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0014 0.0083 0.0048
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0722 0.0918
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0757 0.0718
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.0482 0.0448
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.0482 0.0448
Loa Loa (eye worm) inositol-1 0.0036 0.0757 0.0781
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0221 0.0123
Brugia malayi Nuclear hormone receptor-like 1 0.0014 0.0083 0.009
Echinococcus granulosus FTZ F1 alpha 0.0027 0.0482 0.0448
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0722 0.0811
Brugia malayi nuclear receptor NHR-67 0.0013 0.0036 0.0038
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0722 0.9449
Schistosoma mansoni bromodomain containing protein 0.0061 0.1544 0.1514
Onchocerca volvulus 0.0163 0.4727 0.696
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0722 0.6567
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0482 0.0448
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0482 0.052
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0151 0.0116
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0521 0.0562
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0131 0.5
Loa Loa (eye worm) RecQ helicase 0.0021 0.028 0.0265
Loa Loa (eye worm) hypothetical protein 0.0037 0.0794 0.0821
Brugia malayi hypothetical protein 0.0014 0.0083 0.009
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0016 0.0151 0.0116
Loa Loa (eye worm) beta-lactamase 0.0035 0.0722 0.0744
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.3431 0.3408
Loa Loa (eye worm) hypothetical protein 0.0039 0.0865 0.0898
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0221 0.0963
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0722 0.9449
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0131 0.0036
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0722 0.0811
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0045 0.1051 0.1019
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0823 0.079
Brugia malayi Bromodomain containing protein 0.0072 0.1897 0.2048
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0151 0.0116
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.6569 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0317 0.0282
Brugia malayi ecdysone receptor 0.0013 0.0036 0.0038
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.0482 0.0448
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0722 0.0689
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0145 0.011
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.2888 0.8611
Loa Loa (eye worm) hypothetical protein 0.0027 0.0482 0.0483
Schistosoma mansoni hypothetical protein 0.0015 0.0098 0.0063
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2888 0.4282
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1062 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0169 0.0134
Echinococcus multilocularis musashi 0.0053 0.1286 0.1255
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1062 0.1051
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0757 0.0724
Loa Loa (eye worm) hypothetical protein 0.0041 0.0922 0.0961
Brugia malayi hypothetical protein 0.0013 0.0036 0.0038
Echinococcus granulosus intermediate filament protein 0.0053 0.1286 0.1255
Brugia malayi beta-lactamase family protein 0.0035 0.0722 0.0779
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0639 0.079
Schistosoma mansoni intermediate filament proteins 0.0053 0.1286 0.1255
Echinococcus multilocularis zinc finger protein 0.0019 0.0227 0.0192
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.0482 0.052
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.0482 0.0448
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0221 0.0201
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.742 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0169 0.0983
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.0482 0.0483
Onchocerca volvulus Protein ultraspiracle homolog 0.0027 0.0482 0.0662
Echinococcus multilocularis thyroid hormone receptor alpha 0.0149 0.4275 0.4255
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1436 0.1406
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0131 0.0036
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0169 0.0134
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.325 0.4845
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0013 0.0036 0.0038
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0115 0.3218 0.3425
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0221 0.0186
Loa Loa (eye worm) hypothetical protein 0.0026 0.0433 0.0431
Brugia malayi Bromodomain containing protein 0.0037 0.0791 0.0854
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0027 0.0482 0.0448
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2888 0.4282
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.0482 0.0448
Schistosoma mansoni hypothetical protein 0.002 0.0259 0.0224
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Schistosoma mansoni lamin 0.0053 0.1286 0.1255
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0722 0.0811
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0169 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0045 0.1051 0.1019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.106 0.1144
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0757 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0722 0.0918
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0722 0.0918
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.325 0.4845
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0482 0.052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0221 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.0482 0.052
Brugia malayi Nuclear hormone receptor E75 0.0013 0.0036 0.0038
Brugia malayi Inositol-1 0.0036 0.0757 0.0817
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0757 0.0718
Schistosoma mansoni retinoic acid receptor RXR 0.0027 0.0482 0.0448
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0221 0.1433
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.0482 0.0448
Loa Loa (eye worm) hypothetical protein 0.0052 0.1256 0.1323
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0131 0.0036
Brugia malayi beta-lactamase family protein 0.0035 0.0722 0.0779
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0027 0.0482 0.0662
Mycobacterium ulcerans lipase LipD 0.0035 0.0722 0.9449
Mycobacterium ulcerans beta-lactamase 0.0035 0.0722 0.9449
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0757 0.0858
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0317 0.0282
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0221 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.0482 0.052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0482 0.052
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Schistosoma mansoni thyroid hormone receptor 0.0149 0.4275 0.4255
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.0482 0.052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.106 0.1028
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0169 0.006
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0722 0.0779
Onchocerca volvulus 0.0035 0.0722 0.1019
Echinococcus granulosus methyl CpG binding domain protein 2 0.0016 0.0151 0.0116
Schistosoma mansoni hypothetical protein 0.0332 1 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.1062 0.1082
Toxoplasma gondii fructose-bisphospatase I 0.0115 0.3218 0.3425
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0482 0.0448
Brugia malayi steroid hormone receptor 0.0027 0.0482 0.052
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0131 0.0096
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0131 0.0036
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0309 0.9266 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0131 0.0096
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.0482 0.0483
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0757 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.1685 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0131 0.0036
Mycobacterium tuberculosis Conserved protein 0.0035 0.0722 0.0918
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0131 0.0596
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1062 0.1446
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0722 0.0918
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0221 0.0123
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0722 0.0317
Brugia malayi tailless protein 0.0013 0.0036 0.0038
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.4743 0.6328
Schistosoma mansoni thyroid hormone receptor 0.0149 0.4275 0.4255
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0722 0.0918
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0757 0.0858
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.1685 0.1655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.0482 0.0483
Brugia malayi nuclear receptor RXR 0.0014 0.0083 0.009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0014 0.0083 0.0048
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0482 0.052
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0221 0.0133
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0014 0.0083 0.0052
Schistosoma mansoni hypothetical protein 0.0056 0.1379 0.1348
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.0482 0.0448
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0169 0.0078
Brugia malayi Thioredoxin reductase 0.0046 0.1062 0.1146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0722 0.0689
Loa Loa (eye worm) hypothetical protein 0.0025 0.0403 0.0398
Brugia malayi nuclear hormone receptor family member nhr-6 0.0013 0.0036 0.0038
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.0482 0.0448
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.325 0.4845
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.4743 0.6985
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0482 0.0448
Mycobacterium tuberculosis Conserved protein 0.0035 0.0722 0.0918
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.028 0.0205
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.1286 0.1355
Brugia malayi nuclear hormone receptor 0.0027 0.0482 0.052
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.1685 0.1731
Schistosoma mansoni zinc finger protein 0.0019 0.0227 0.0192
Schistosoma mansoni hypothetical protein 0.0332 1 1
Brugia malayi nuclear hormone receptor 0.0013 0.0036 0.0038
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0221 0.0238
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.0482 0.0448
Schistosoma mansoni coup transcription factor 0.0027 0.0482 0.0448
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.028 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.0482 0.0483
Loa Loa (eye worm) hypothetical protein 0.0035 0.0722 0.0744
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0722 0.0811
Loa Loa (eye worm) hypothetical protein 0.0045 0.1051 0.11
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0757 0.3661
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0221 0.0139
Plasmodium vivax glutathione reductase, putative 0.0046 0.1062 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0722 0.0689
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0131 0.0036
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.0482 0.0448
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.0482 0.052
Toxoplasma gondii fructose-bisphospatase II 0.0309 0.9266 1
Plasmodium falciparum glutathione reductase 0.0046 0.1062 1
Onchocerca volvulus 0.0035 0.0722 0.1019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 70.7946 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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