Detailed information for compound 1327139

Basic information

Technical information
  • TDR Targets ID: 1327139
  • Name: N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethyl-1 H-pyrazol-4-yl)sulfonyl-(4-methoxyphenyl)amin o]acetamide
  • MW: 462.95 | Formula: C21H23ClN4O4S
  • H donors: 2 H acceptors: 4 LogP: 3.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1c(C)n[nH]c1C)CC(=O)NCc1ccccc1Cl
  • InChi: 1S/C21H23ClN4O4S/c1-14-21(15(2)25-24-14)31(28,29)26(17-8-10-18(30-3)11-9-17)13-20(27)23-12-16-6-4-5-7-19(16)22/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,25)
  • InChiKey: IOAIUNLJJWKHLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chlorobenzyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(4-methoxyphenyl)amino]acetamide
  • N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(4-methoxyphenyl)amino]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 mothers against decapentaplegic 5 0.0017 0.0034 0.0057
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0008 0.0033
Echinococcus multilocularis cpg binding protein 0.003 0.0137 0.0231
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0188 0.3104
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0027 0.0112 0.0112
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0009 0.0046
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0366 0.1471
Loa Loa (eye worm) hypothetical protein 0.0025 0.0095 0.0095
Loa Loa (eye worm) jmjC domain-containing protein 0.0095 0.061 0.061
Schistosoma mansoni lamin 0.0027 0.0112 0.0449
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1093 0.1845
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0187 0.112
Echinococcus granulosus peregrin 0.0029 0.0126 0.0507
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0187 0.0923
Schistosoma mansoni hypothetical protein 0.0032 0.015 0.0605
Echinococcus granulosus lamin 0.0027 0.0112 0.0449
Schistosoma mansoni protein phosphatase 2C 0.0025 0.0095 0.038
Entamoeba histolytica hypothetical protein 0.0071 0.0438 0.7223
Brugia malayi nuclear receptor NHR-88 0.0021 0.0068 0.0068
Echinococcus multilocularis peregrin 0.0029 0.0126 0.0213
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0057 0.0057
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0126 0.288
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0009 0.0154
Echinococcus multilocularis lysine specific demethylase 5A 0.0093 0.0597 0.1008
Brugia malayi Smad1 0.0017 0.0034 0.0034
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0068 0.0116
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0174 0.0293
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0188 0.0928
Brugia malayi MH2 domain containing protein 0.0243 0.1704 0.1704
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0174 0.0857
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0044 0.0179
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0188 0.0757
Loa Loa (eye worm) hypothetical protein 0.0071 0.0438 0.0438
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0666 0.0666
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0068 0.0275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0627 0.2522
Entamoeba histolytica hypothetical protein 0.0037 0.0184 0.3041
Echinococcus granulosus lysine specific demethylase 5A 0.0095 0.061 0.2451
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0034 0.0057
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0025 0.0095 0.2157
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0187 0.5
Trichomonas vaginalis esterase, putative 0.0037 0.0187 0.0923
Mycobacterium tuberculosis Conserved protein 0.0037 0.0187 0.112
Onchocerca volvulus 0.0027 0.0112 0.0551
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0068 0.0068
Toxoplasma gondii ABC1 family protein 0.0037 0.0187 0.4273
Loa Loa (eye worm) hypothetical protein 0.0029 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0013 0.0005 0.0005
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0126 0.288
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0187 0.3086
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0815 0.5926 1
Brugia malayi Pre-SET motif family protein 0.0252 0.1772 0.1772
Trypanosoma brucei polo-like protein kinase 0.0094 0.0607 1
Brugia malayi MH1 domain containing protein 0.0017 0.0034 0.0034
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0366 0.835
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0059 0.0349 0.5756
Schistosoma mansoni coup transcription factor 0.0021 0.0068 0.0275
Plasmodium vivax sphingomyelin synthase 2, putative 0.0071 0.0438 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0034 0.0136
Brugia malayi steroid hormone receptor 0.0021 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0187 0.0923
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0068 0.0068
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0068 0.0275
Brugia malayi exodeoxyribonuclease III family protein 0.0059 0.0349 0.0349
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0071 0.0438 0.7223
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0666 0.0666
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0174 0.0857
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0187 0.0923
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0607 0.0607
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.0008
Schistosoma mansoni alpha-glucosidase 0.0138 0.0929 0.3735
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0627 0.2522
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0068 0.0068
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0009 0.0154
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0068 0.0275
Echinococcus granulosus intermediate filament protein 0.0027 0.0112 0.0449
Echinococcus granulosus phd:f box containing protein 0.0025 0.0095 0.038
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.024 0.1681 0.1681
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0034 0.0136
Trichomonas vaginalis hypothetical protein 0.0071 0.0438 0.216
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0627 0.2522
Entamoeba histolytica hypothetical protein 0.0037 0.0184 0.3041
Echinococcus multilocularis jumonji domain containing 1A 0.0025 0.0095 0.016
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0095 0.038
Echinococcus multilocularis muscleblind protein 1 0.0166 0.1135 0.1915
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0366 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0025 0.0095 0.2157
Echinococcus multilocularis GPCR, family 2 0.0032 0.015 0.0254
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0174 0.2865
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0071 0.0438 0.216
Loa Loa (eye worm) hypothetical protein 0.0071 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0188 0.3104
Loa Loa (eye worm) hypothetical protein 0.0065 0.0393 0.0393
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0366 0.1471
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0059 0.0349 0.9067
Treponema pallidum exodeoxyribonuclease (exoA) 0.0059 0.0349 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0366 0.6031
Echinococcus multilocularis smad 0.0017 0.0034 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0187 0.0753
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0427 0.0427
Echinococcus granulosus lysine specific demethylase 6a 0.0025 0.0095 0.038
Brugia malayi CXXC zinc finger family protein 0.0029 0.0125 0.0125
Plasmodium vivax sphingomyelin synthase 1, putative 0.0071 0.0438 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0174 0.2865
Brugia malayi beta-lactamase 0.0037 0.0187 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.1704 0.1704
Echinococcus multilocularis musashi 0.0027 0.0112 0.0188
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1093 0.1845
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0068 0.0116
Entamoeba histolytica hypothetical protein 0.0071 0.0438 0.7223
Schistosoma mansoni hypothetical protein 0.007 0.0427 0.1719
Brugia malayi MH2 domain containing protein 0.0017 0.0034 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0627 0.1058
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0009 0.0046
Schistosoma mansoni kinase 0.0048 0.0265 0.1065
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0059 0.0349 0.2088
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0174 0.0857
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0068 0.0068
Brugia malayi beta-lactamase family protein 0.0037 0.0187 0.0187
Onchocerca volvulus 0.0029 0.0125 0.0615
Schistosoma mansoni survival motor neuron protein 0.0049 0.0272 0.1096
Echinococcus granulosus jumonji domain containing protein 0.004 0.021 0.0845
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2028 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0068 0.0275
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0059 0.0349 0.5756
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0188 0.0928
Loa Loa (eye worm) hypothetical protein 0.0071 0.0438 0.0438
Brugia malayi MH2 domain containing protein 0.0017 0.0034 0.0034
Brugia malayi intermediate filament protein 0.0027 0.0112 0.0112
Schistosoma mansoni smad 0.0017 0.0034 0.0136
Loa Loa (eye worm) hypothetical protein 0.0025 0.0095 0.0095
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0184 0.0311
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0068 0.0116
Loa Loa (eye worm) beta-lactamase 0.0037 0.0187 0.0187
Brugia malayi Bromodomain containing protein 0.0029 0.0126 0.0126
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0068 0.0337
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0187 0.0316
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Toxoplasma gondii hypothetical protein 0.0071 0.0438 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0188 0.0757
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0112 0.0112
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Echinococcus multilocularis jumonji domain containing protein 0.004 0.021 0.0355
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0188 0.3104
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0182 0.0308
Echinococcus granulosus GPCR family 2 0.0032 0.015 0.0605
Schistosoma mansoni hypothetical protein 0.0349 0.2486 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0187 0.0923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0068 0.0068
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0188 0.0318
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0071 0.0438 0.216
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0026 0.0107 0.018
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.1704 0.1704
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0188 0.3104
Schistosoma mansoni cpg binding protein 0.0029 0.0125 0.0501
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0068 0.0275
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0174 0.2865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0068 0.0068
Echinococcus granulosus smad 0.0017 0.0034 0.0136
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0068 0.0068
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0188 0.0757
Loa Loa (eye worm) hypothetical protein 0.0166 0.1135 0.1135
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0188 0.0318
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1672 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0187 0.0187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0627 0.2522
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0068 0.0275
Giardia lamblia PHD finger protein 15 0.0029 0.0126 0.208
Schistosoma mansoni cpg binding protein 0.003 0.0137 0.055
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0068 0.0275
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.0349 0.1722
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0068 0.0275
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0068 0.0068
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0188 0.0928
Leishmania major hypothetical protein, conserved 0.0025 0.0095 0.1558
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0153 0.104 0.4184
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0184 0.0742
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0366 0.0617
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0187 0.112
Schistosoma mansoni jumonji domain containing protein 0.0133 0.0896 0.3603
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0009 0.0154
Brugia malayi PHD-finger family protein 0.0029 0.0126 0.0126
Brugia malayi Pre-SET motif family protein 0.0037 0.0182 0.0182
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0068 0.0275
Schistosoma mansoni phd/f-box containing protein 0.0025 0.0095 0.038
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0187 0.112
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0071 0.0438 0.216
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0071 0.0438 0.216
Mycobacterium tuberculosis Conserved protein 0.0037 0.0187 0.112
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0009 0.0046
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0174 0.0857
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0174 0.2865
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.0349 0.1722
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0068 0.0068
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0188 0.0757
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0174 0.3967
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0187 0.0753
Echinococcus granulosus survival motor neuron protein 1 0.024 0.1681 0.6759
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0627 0.2522
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0068 0.0275
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0019 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0182 0.0734
Brugia malayi jmjC domain containing protein 0.0025 0.0095 0.0095
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0607 0.0607
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0182 0.0734
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0174 0.0857
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0009 0.0046
Onchocerca volvulus 0.0037 0.0187 0.0923
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Entamoeba histolytica hypothetical membrane-spanning protein 0.0071 0.0438 0.7223
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0034 0.0136
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0438 0.216
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0666 0.0666
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0071 0.0438 0.7223
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0068 0.0068
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0068 0.0116
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0188 0.0318
Giardia lamblia Kinase, PLK 0.0094 0.0607 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0009 0.0046
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0153 0.104 0.1755
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0071 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0013 0.0009 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0095 0.0095
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0126 0.0126
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0174 0.0857
Trypanosoma brucei glucosidase, putative 0.0036 0.0174 0.2865
Loa Loa (eye worm) hypothetical protein 0.0032 0.015 0.015
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0366 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0068 0.0068
Brugia malayi beta-lactamase family protein 0.0037 0.0187 0.0187
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0008 0.0014
Leishmania major hypothetical protein, conserved 0.0037 0.0187 0.3086
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0059 0.0349 0.5756
Onchocerca volvulus 0.0027 0.0112 0.0551
Brugia malayi ecdysteroid receptor 0.0021 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.0188
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Echinococcus granulosus geminin 0.0349 0.2486 1
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.1681 0.2836
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0627 0.1058
Schistosoma mansoni hypothetical protein 0.0037 0.0184 0.0742
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0009 0.0046
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0607 0.244
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0607 0.2991
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0182 0.0734
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0068 0.0275
Echinococcus multilocularis phd:f box containing protein 0.0025 0.0095 0.016
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0184 0.0742
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0068 0.0116
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0112 0.0112
Schistosoma mansoni jumonji/arid domain-containing protein 0.0095 0.061 0.2451
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0068 0.0116
Entamoeba histolytica hypothetical protein 0.0037 0.0184 0.3041
Loa Loa (eye worm) hypothetical protein 0.0037 0.0187 0.0187
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1093 0.1093
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0174 0.0699
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Brugia malayi jmjC domain containing protein 0.0025 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0071 0.0438 0.0438
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0607 0.244
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0068 0.0275
Brugia malayi hypothetical protein 0.024 0.1681 0.1681
Schistosoma mansoni hypothetical protein 0.0349 0.2486 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0034 0.0034
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0068 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0068 0.0068
Brugia malayi MH1 domain containing protein 0.0017 0.0034 0.0034
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0068 0.0275
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0112 0.0112
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.015 0.0605
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0068 0.0068
Echinococcus multilocularis Smad4 0.0017 0.0034 0.0057
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0059 0.0349 0.5756
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0188 0.3104
Onchocerca volvulus 0.0049 0.0272 0.1343
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0059 0.0349 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0034 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0187 0.0753
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0068 0.0068
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0187 0.3086
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0607 1
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0071 0.0438 0.7223
Mycobacterium leprae Probable lipase LipE 0.0037 0.0187 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0068 0.0068
Onchocerca volvulus 0.0037 0.0187 0.0923
Loa Loa (eye worm) hypothetical protein 0.0102 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Plasmodium falciparum phd finger protein, putative 0.0029 0.0126 0.288
Loa Loa (eye worm) Smad1 0.0017 0.0034 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.0071 0.0438 0.7223
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0188 0.0757
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0068 0.0068
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0187 0.112
Entamoeba histolytica hypothetical protein 0.0071 0.0438 0.7223
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1093 0.4396
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0068 0.0275
Plasmodium vivax JmjC domain containing protein 0.0025 0.0095 0.2157
Echinococcus multilocularis geminin 0.0349 0.2486 0.4196
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0009 0.0154
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0188 0.3104
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0095 0.0095
Onchocerca volvulus 0.0037 0.0187 0.0923
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0174 0.0857
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0068 0.0116
Schistosoma mansoni smad1 5 8 and 0.0017 0.0034 0.0136
Brugia malayi Sphingomyelin synthase-related 1 0.0071 0.0438 0.0438
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0187 0.112
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0071 0.0438 0.0438
Entamoeba histolytica hypothetical protein 0.0037 0.0184 0.3041
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0009 0.0009
Brugia malayi Latrophilin receptor protein 2 0.0032 0.015 0.015
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0071 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0438 0.0438
Onchocerca volvulus Alhambra homolog 0.0029 0.0126 0.0622
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0325 0.7417
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0068 0.0068
Echinococcus granulosus muscleblind protein 0.0166 0.1135 0.4563
Schistosoma mansoni ap endonuclease 0.0059 0.0349 0.1404
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0125 0.0125
Brugia malayi hypothetical protein 0.0037 0.0184 0.0184
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0373 0.1501
Schistosoma mansoni alpha-glucosidase 0.0138 0.0929 0.3735
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.015 0.0254
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0272 0.0272
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0182 0.0734
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.015 0.0254
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0168 0.0676
Echinococcus multilocularis lamin 0.0027 0.0112 0.0188
Mycobacterium tuberculosis Conserved protein 0.0037 0.0187 0.112
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0068 0.0275
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0174 0.0857
Brugia malayi nuclear hormone receptor 0.0021 0.0068 0.0068
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.015 0.015
Schistosoma mansoni ap endonuclease 0.0059 0.0349 0.1404
Echinococcus granulosus lamin dm0 0.0027 0.0112 0.0449
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0009 0.0046
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0187 0.0187
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0071 0.0438 0.7223
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0174 0.0857
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.0607 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1772 0.1772
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0256 0.1261
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0068
Echinococcus multilocularis lysine specific demethylase 6a 0.0025 0.0095 0.016
Onchocerca volvulus 0.0287 0.2028 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.0349 0.7969
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0059 0.0349 0.0589
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0187 0.112
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0025 0.0095 0.2157
Echinococcus granulosus cpg binding protein 0.003 0.0137 0.055
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0126 0.0507
Schistosoma mansoni cpg binding protein 0.003 0.0137 0.055
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0068 0.0116
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0256 0.1261
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0187 0.4273
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0059 0.0349 0.5756
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0068 0.0275
Plasmodium vivax SET domain protein, putative 0.0037 0.0182 0.4164
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0126 0.0507
Schistosoma mansoni hypothetical protein 0.0029 0.0126 0.0507
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0187 0.112
Onchocerca volvulus 0.0093 0.0595 0.2934
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0187 0.3086
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0071 0.0438 0.0438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0627 0.0627
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0068 0.0275
Loa Loa (eye worm) hypothetical protein 0.007 0.0427 0.0427
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0071 0.0438 1
Brugia malayi jmjC domain containing protein 0.0025 0.0095 0.0095
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0187 0.0923
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0607 0.1024
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0071 0.0438 0.0438
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1093 0.1093
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0366 0.2188
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0025 0.0095 0.1558
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0059 0.0349 0.1404
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0182 0.0308
Schistosoma mansoni hypothetical protein 0.0032 0.015 0.0605
Echinococcus multilocularis JmjC domain containing protein 4 0.0025 0.0095 0.016
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0071 0.0438 0.0739
Schistosoma mansoni Smad4 0.0017 0.0034 0.0136
Onchocerca volvulus 0.0021 0.0068 0.0337
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0068 0.0337
Schistosoma mansoni hypothetical protein 0.0032 0.015 0.0605
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0071 0.0438 1
Schistosoma mansoni hypothetical protein 0.0032 0.015 0.0605
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0068 0.0068
Schistosoma mansoni spingomyelin synthetase-related 0.0071 0.0438 0.1762
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0009 0.0046
Schistosoma mansoni alpha glucosidase 0.0036 0.0174 0.0699
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0068 0.0275
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0607 0.2991
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.0349 0.7969
Brugia malayi jmjC domain containing protein 0.0095 0.061 0.061
Trypanosoma brucei inositol phosphorylceramide synthase 0.0071 0.0438 0.7223
Loa Loa (eye worm) hypothetical protein 0.0027 0.0108 0.0108
Schistosoma mansoni lamin 0.0027 0.0112 0.0449
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0627 0.0627
Onchocerca volvulus 0.0037 0.0182 0.09
Toxoplasma gondii exonuclease III APE 0.0059 0.0349 0.7969
Brugia malayi jmjC domain containing protein 0.0153 0.104 0.104
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0366 0.1471
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0026 0.0107 0.0429
Loa Loa (eye worm) hypothetical protein 0.0013 0.0005 0.0005
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0034 0.0136
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0071 0.0438 0.7223
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0126 0.0213
Schistosoma mansoni jumonji/arid domain-containing protein 0.0095 0.061 0.2451
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0607 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0034 0.0136
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0068 0.0068
Schistosoma mansoni phosphatidylserine receptor 0.0025 0.0095 0.038
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0174 0.0174
Echinococcus multilocularis lamin dm0 0.0027 0.0112 0.0188
Echinococcus granulosus sphingomyelin synthase protein 1 0.0071 0.0438 0.1762
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0188 0.0188
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0095 0.1558
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0059 0.0349 0.0349
Echinococcus granulosus JmjC domain containing protein 4 0.0025 0.0095 0.038
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0068 0.0275
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0182 0.4164
Entamoeba histolytica hypothetical protein 0.0071 0.0438 0.7223
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0095 0.0095
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.015 0.0605
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0607 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0068 0.0068
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0068 0.0337
Echinococcus multilocularis muscleblind protein 0.0166 0.1135 0.1915
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0071 0.0438 0.7223
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0174 0.2865
Echinococcus granulosus Smad4 0.0017 0.0034 0.0136
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0355 0.0355
Schistosoma mansoni hypothetical protein 0.0049 0.0272 0.1096
Brugia malayi jmjC domain containing protein 0.0025 0.0095 0.0095
Brugia malayi Muscleblind-like protein 0.0166 0.1135 0.1135
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0009 0.0046
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0068 0.0275
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0009 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0068 0.0068
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0025 0.0095 0.038
Schistosoma mansoni intermediate filament proteins 0.0027 0.0112 0.0449
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0068 0.0275
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0126 0.288
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0025 0.0095 0.1558
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0059 0.0349 0.5756
Echinococcus granulosus jumonji domain containing 1A 0.0025 0.0095 0.038
Loa Loa (eye worm) hypothetical protein 0.0166 0.1135 0.1135
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0182 0.0734
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0068 0.0068
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0174 0.0174
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0366 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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