Detailed information for compound 1296927

Basic information

Technical information
  • TDR Targets ID: 1296927
  • Name: (2,6-dichlorophenyl)methyl 2-ethoxypyridine-3 -carboxylate
  • MW: 326.175 | Formula: C15H13Cl2NO3
  • H donors: 0 H acceptors: 2 LogP: 4.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ncccc1C(=O)OCc1c(Cl)cccc1Cl
  • InChi: 1S/C15H13Cl2NO3/c1-2-20-14-10(5-4-8-18-14)15(19)21-9-11-12(16)6-3-7-13(11)17/h3-8H,2,9H2,1H3
  • InChiKey: NQYGLFPGPCTHFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethoxy-3-pyridinecarboxylic acid (2,6-dichlorophenyl)methyl ester
  • 2-ethoxynicotinic acid (2,6-dichlorobenzyl) ester
  • ZINC03342140
  • MLS000388566
  • SMR000254739
  • Oprea1_735936
  • T0518-4629

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0174 0.1175 0.2179
Schistosoma mansoni pyruvate kinase 0.0253 0.1763 0.3301
Plasmodium vivax importin-beta 2, putative 0.0029 0.0093 0.0331
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0036 0.0068
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0076 0.0447 0.0847
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0223 0.0423
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0162 0.073
Brugia malayi Pyruvate kinase, M2 isozyme 0.0253 0.1763 0.3341
Schistosoma mansoni ran 0.0021 0.0036 0.0008
Echinococcus multilocularis snurportin 1 0.031 0.2191 0.2166
Brugia malayi Inositol-1 0.0039 0.0166 0.0316
Echinococcus granulosus microtubule associated protein 2 0.0686 0.5004 0.4988
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0166 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0428 0.0934
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0202 0.0964
Mycobacterium leprae Probable pyruvate kinase PykA 0.0253 0.1763 1
Brugia malayi hypothetical protein 0.0087 0.053 0.1004
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0448 0.3281
Mycobacterium ulcerans glutaminase 0.0551 0.399 1
Schistosoma mansoni tar DNA-binding protein 0.0723 0.5277 1
Brugia malayi TAR-binding protein 0.0723 0.5277 1
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0428 0.2269
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0428 0.0991
Echinococcus granulosus snurportin 1 0.031 0.2191 0.2166
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0162 0.0307
Plasmodium falciparum importin beta, putative 0.0029 0.0093 0.0331
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0066 0.0034
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0313 0.0283
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0428 0.0758
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0093 0.0331
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0428 0.0755
Echinococcus granulosus lysosomal alpha glucosidase 0.0345 0.2453 0.2429
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0089 0.0309
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0223 0.0423
Mycobacterium tuberculosis Conserved protein 0.0074 0.0428 0.0934
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0202 0.0964
Mycobacterium ulcerans hypothetical protein 0.0046 0.0223 0.0228
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0448 0.1043
Trichomonas vaginalis maltase-glucoamylase, putative 0.0029 0.0089 0.0135
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0162 0.0319
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0036 0.0004
Echinococcus multilocularis pyruvate kinase 0.0199 0.1366 0.1338
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0093 0.0331
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0223 0.1492
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0313 0.0537
Mycobacterium ulcerans pyruvate kinase 0.0253 0.1763 0.4223
Brugia malayi beta-lactamase 0.0074 0.0428 0.081
Trichomonas vaginalis set domain proteins, putative 0.0464 0.3346 0.8372
Schistosoma mansoni hypothetical protein 0.0174 0.1175 0.2179
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0229 0.0434
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0111 0.0079
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.011
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0091 0.056 0.1325
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0162 0.073
Brugia malayi pyruvate kinase 0.0053 0.0274 0.0519
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0089 0.0135
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0068 0.0187
Loa Loa (eye worm) acetyltransferase 0.0311 0.2201 0.4135
Onchocerca volvulus Pyruvate kinase homolog 0.0253 0.1763 0.5224
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0289 0.049
Loa Loa (eye worm) hypothetical protein 0.0099 0.0617 0.1117
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0032 0.006
Echinococcus granulosus GPCR family 2 0.0031 0.0111 0.0079
Schistosoma mansoni smad1 5 8 and 0.0025 0.0066 0.0065
Giardia lamblia Pyruvate kinase 0.013 0.0845 0.4683
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0202 0.0171
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0198
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0289 0.0547
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0136 0.0578
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0428 0.0755
Mycobacterium leprae Probable lipase LipE 0.0074 0.0428 0.1792
Brugia malayi acetyltransferase, GNAT family protein 0.0311 0.2201 0.4171
Schistosoma mansoni alpha glucosidase 0.0077 0.0448 0.0794
Entamoeba histolytica acetyltransferase, GNAT family 0.0084 0.0503 0.3717
Brugia malayi MH2 domain containing protein 0.0025 0.0066 0.0125
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0365
Onchocerca volvulus 0.0059 0.0313 0.085
Trichomonas vaginalis pyruvate kinase, putative 0.0253 0.1763 0.4369
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0198
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0089 0.0135
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0066 0.0034
Brugia malayi pyruvate kinase, muscle isozyme 0.0053 0.0274 0.0519
Mycobacterium ulcerans beta-lactamase 0.0074 0.0428 0.0758
Echinococcus granulosus pyruvate kinase 0.013 0.0845 0.0816
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0448 0.2387
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0162 0.0131
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0089 0.0309
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0089 0.0135
Echinococcus granulosus importin subunit beta 1 0.0029 0.0093 0.0062
Loa Loa (eye worm) hypothetical protein 0.0253 0.1763 0.3301
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0136 0.0578
Loa Loa (eye worm) hypothetical protein 0.0198 0.1358 0.2529
Loa Loa (eye worm) pyruvate kinase-PB 0.0176 0.1192 0.2213
Schistosoma mansoni survival motor neuron protein 0.0047 0.0229 0.0377
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0166 0.0331
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0311 0.2201 0.4135
Loa Loa (eye worm) pyruvate kinase 0.0253 0.1763 0.3301
Schistosoma mansoni hypothetical protein 0.0031 0.0111 0.0151
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0162 0.1003
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0032 0.006
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0162 0.0131
Loa Loa (eye worm) glutaminase 2 0.0551 0.399 0.7546
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0162 0.073
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0617 0.117
Echinococcus multilocularis pyruvate kinase 0.013 0.0845 0.0816
Brugia malayi beta-lactamase family protein 0.0074 0.0428 0.081
Echinococcus granulosus tar DNA binding protein 0.0723 0.5277 0.5262
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0448 0.1043
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0032 0.006
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0223 0.0311
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.0448 0.2387
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0202 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0032 0.006
Echinococcus multilocularis GPCR, family 2 0.0031 0.0111 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0289 0.0258
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0032 0.006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0313 0.0283
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0162 0.0248
Brugia malayi Importin beta-1 subunit 0.0029 0.0093 0.0176
Brugia malayi MH1 domain containing protein 0.0025 0.0066 0.0125
Loa Loa (eye worm) hypothetical protein 0.0029 0.0093 0.0117
Loa Loa (eye worm) pyruvate kinase 0.0053 0.0274 0.0462
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0052 0.0041
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0472 0.34 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0223 0.0228
Schistosoma mansoni microtubule-associated protein tau 0.0686 0.5004 0.9479
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0068 0.0187
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0162 0.073
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0089 0.0135
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1607 0.158
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0032 0.006
Schistosoma mansoni alpha-glucosidase 0.0297 0.2094 0.3932
Loa Loa (eye worm) Smad1 0.0025 0.0066 0.0065
Trypanosoma cruzi pyruvate kinase 2, putative 0.0253 0.1763 1
Toxoplasma gondii ABC1 family protein 0.0074 0.0428 0.2269
Brugia malayi beta-lactamase family protein 0.0074 0.0428 0.081
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0448 0.1043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0297 0.0267
Brugia malayi RNA binding protein 0.0723 0.5277 1
Trichomonas vaginalis pyruvate kinase, putative 0.0253 0.1763 0.4369
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.019 0.1292 0.1265
Loa Loa (eye worm) hypothetical protein 0.0068 0.0383 0.0669
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0068 0.0187
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0052 0.0094
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0068 0.0187
Schistosoma mansoni ran 0.0021 0.0036 0.0008
Leishmania major pyruvate kinase 0.0253 0.1763 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0253 0.1763 1
Brugia malayi nuclear hormone receptor 0.0021 0.0032 0.006
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0428 0.0397
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0091 0.056 0.3034
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0032 0.006
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0166 0.0135
Loa Loa (eye worm) pyruvate kinase 0.0253 0.1763 0.3301
Schistosoma mansoni pyruvate kinase 0.013 0.0845 0.155
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0223 0.0228
Brugia malayi hypothetical protein 0.0039 0.0171 0.0323
Onchocerca volvulus 0.0198 0.1358 0.4002
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0089 0.0135
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0091 0.056 0.3034
Plasmodium vivax SET domain protein, putative 0.0059 0.0313 0.1608
Echinococcus granulosus Smad4 0.0025 0.0066 0.0034
Echinococcus granulosus geminin 0.0174 0.1175 0.1147
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.0448 0.2387
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0111 0.0079
Loa Loa (eye worm) hypothetical protein 0.0176 0.1192 0.2213
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0313 0.1608
Loa Loa (eye worm) hypothetical protein 0.0038 0.0162 0.0248
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0428 0.2269
Brugia malayi steroid hormone receptor 0.0021 0.0032 0.006
Schistosoma mansoni inositol monophosphatase 0.0039 0.0166 0.0257
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0448 0.1043
Loa Loa (eye worm) beta-lactamase 0.0074 0.0428 0.0755
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0166 0.0757
Entamoeba histolytica hypothetical protein 0.019 0.1292 1
Schistosoma mansoni tar DNA-binding protein 0.0723 0.5277 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0093 0.0331
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0448 0.1043
Trypanosoma brucei glucosidase, putative 0.0077 0.0448 0.2387
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0111 0.021
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0428 0.0991
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0032 0.006
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0202 0.0383
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0166 0.008
Loa Loa (eye worm) RNA binding protein 0.0723 0.5277 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0302 0.2136 0.2111
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.019 0.1292 0.1265
Echinococcus multilocularis pyruvate kinase 0.0253 0.1763 0.1737
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.2191 0.4116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0289 0.0258
Giardia lamblia Pyruvate kinase 0.0253 0.1763 1
Brugia malayi hypothetical protein 0.0026 0.0068 0.0129
Leishmania major hypothetical protein, conserved 0.0026 0.0068 0.0187
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0223 0.0423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0289 0.049
Brugia malayi MH2 domain containing protein 0.0025 0.0066 0.0125
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0052 0.0041
Brugia malayi hypothetical protein 0.019 0.1292 0.2449
Echinococcus multilocularis pyruvate kinase 0.0253 0.1763 0.1737
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0428 0.0934
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0428 0.0934
Loa Loa (eye worm) hypothetical protein 0.0026 0.0068 0.0069
Loa Loa (eye worm) hypothetical protein 0.0031 0.0111 0.0151
Loa Loa (eye worm) hypothetical protein 0.0087 0.053 0.095
Schistosoma mansoni tar DNA-binding protein 0.0723 0.5277 1
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0428 0.0934
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0428 0.081
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0166 0.1041
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0428 0.0934
Leishmania major importin beta-1 subunit, putative 0.0024 0.0052 0.0094
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0428 0.0991
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0166 0.0757
Loa Loa (eye worm) hypothetical protein 0.0087 0.053 0.095
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0202 0.0383
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1607 0.158
Echinococcus granulosus pyruvate kinase 0.0253 0.1763 0.1737
Brugia malayi hypothetical protein 0.0232 0.1607 0.3045
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0089 0.0309
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0162 0.0131
Brugia malayi MH2 domain containing protein 0.0373 0.266 0.504
Schistosoma mansoni eyes absent homolog 0.0087 0.053 0.095
Trichomonas vaginalis bromodomain-containing protein, putative 0.0091 0.056 0.1325
Brugia malayi Glycosyl hydrolases family 31 protein 0.0345 0.2453 0.4649
Echinococcus granulosus histone acetyltransferase KAT2B 0.0091 0.056 0.053
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0345 0.2453 0.4617
Brugia malayi Pre-SET motif family protein 0.0059 0.0313 0.0594
Echinococcus multilocularis pyruvate kinase 0.013 0.0845 0.0816
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0036 0.0008
Onchocerca volvulus 0.0047 0.0229 0.0596
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0029 0.0089 0.0135
Loa Loa (eye worm) hypothetical protein 0.0232 0.1607 0.3003
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0166 0.0135
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.0089 0.0174
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0428 0.0934
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.0448 0.0794
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0223 0.1492
Entamoeba histolytica hypothetical protein 0.019 0.1292 1
Echinococcus multilocularis pyruvate kinase 0.013 0.0845 0.0816
Schistosoma mansoni transcription factor LCR-F1 0.019 0.1292 0.2404
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0111 0.0079
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0166 0.0757
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0136 0.0043
Echinococcus multilocularis tar DNA binding protein 0.0723 0.5277 0.5262
Trichomonas vaginalis esterase, putative 0.0074 0.0428 0.0991
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0136 0.0045
Entamoeba histolytica hypothetical protein 0.0024 0.0052 0.0129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0289 0.049
Onchocerca volvulus Pyruvate kinase homolog 0.0253 0.1763 0.5224
Loa Loa (eye worm) TAR-binding protein 0.0723 0.5277 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.0448 0.0849
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0428 0.0991
Leishmania major pyruvate kinase 0.0253 0.1763 1
Mycobacterium ulcerans lipase LipD 0.0074 0.0428 0.0758
Loa Loa (eye worm) glutaminase 0.0551 0.399 0.7546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0289 0.0258
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0428 0.0934
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0032 0.006
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0052 0.0041
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0428 0.2269
Mycobacterium ulcerans hypothetical protein 0.0074 0.0428 0.0758
Plasmodium falciparum pyruvate kinase 0.0253 0.1763 1
Brugia malayi Pre-SET motif family protein 0.0408 0.2925 0.5543
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0723 0.5277 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0365
Schistosoma mansoni hypothetical protein 0.0031 0.0111 0.0151
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0223 0.1086
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.5891 0.5878
Toxoplasma gondii pyruvate kinase PyKII 0.013 0.0845 0.4683
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0428 0.1792
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0032 0.006
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0066 0.0034
Schistosoma mansoni glutaminase 0.0551 0.399 0.7546
Loa Loa (eye worm) hypothetical protein 0.0046 0.0223 0.0365
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0198
Echinococcus granulosus pyruvate kinase 0.013 0.0845 0.0816
Loa Loa (eye worm) hypothetical protein 0.0035 0.0136 0.0198
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0166 0.0331
Plasmodium falciparum histone acetyltransferase GCN5 0.0084 0.0503 0.2704
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0448 0.1043
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0162 0.0131
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0223 0.0536
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0223 0.0228
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0313 0.0537
Loa Loa (eye worm) inositol-1 0.0039 0.0166 0.0257
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0089 0.0425
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0617 0.117
Plasmodium falciparum pyruvate kinase 2 0.013 0.0845 0.4683
Giardia lamblia Histone acetyltransferase GCN5 0.0084 0.0503 0.2704
Loa Loa (eye worm) transcription factor SMAD2 0.0373 0.266 0.501
Echinococcus granulosus smad 0.0025 0.0066 0.0034
Brugia malayi nuclear receptor NHR-88 0.0021 0.0032 0.006
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0162 0.073
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0428 0.0755
Brugia malayi glutaminase DH11.1 0.0551 0.399 0.756
Brugia malayi RNA, U transporter 1 0.0083 0.0493 0.0934
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0162 0.0131
Trypanosoma brucei pyruvate kinase 1, putative 0.0253 0.1763 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0068 0.0187
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0066 0.0065
Plasmodium vivax pyruvate kinase, putative 0.0253 0.1763 1
Plasmodium vivax pyruvate kinase 2, putative 0.013 0.0845 0.4683
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0223 0.1492
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0428 0.2269
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0162 0.0248
Echinococcus granulosus pyruvate kinase 0.013 0.0845 0.0816
Echinococcus multilocularis lysosomal alpha glucosidase 0.0345 0.2453 0.2429
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0428 0.0397
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0162 0.0131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0289 0.049
Schistosoma mansoni hypothetical protein 0.0044 0.0202 0.0325
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Onchocerca volvulus 0.0046 0.0223 0.0578
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Schistosoma mansoni smad1 5 8 and 0.0025 0.0066 0.0065
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.2925 0.5516
Echinococcus granulosus pyruvate kinase 0.0253 0.1763 0.1737
Schistosoma mansoni smad 0.0025 0.0066 0.0065
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0313 0.0283
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0036 0.0004
Loa Loa (eye worm) hypothetical protein 0.0074 0.0428 0.0755
Schistosoma mansoni pyruvate kinase 0.0253 0.1763 0.3301
Schistosoma mansoni tar DNA-binding protein 0.0723 0.5277 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0218 0.1509 0.2816
Schistosoma mansoni importin beta-1 0.0029 0.0093 0.0117
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0223 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0032 0.006
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.0448 0.1043
Toxoplasma gondii pyruvate kinase PyK1 0.0253 0.1763 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0313 0.0537
Trichomonas vaginalis alpha-glucosidase, putative 0.0029 0.0089 0.0135
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0223 0.0228
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0089 0.0309
Schistosoma mansoni alpha-glucosidase 0.0297 0.2094 0.3932
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0617 0.1117
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0383 0.0725
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0093 0.0062
Onchocerca volvulus 0.0074 0.0428 0.1195
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0166 0.0757
Onchocerca volvulus 0.0464 0.3346 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0089 0.0169
Echinococcus multilocularis Smad4 0.0025 0.0066 0.0034
Mycobacterium tuberculosis Conserved protein 0.0074 0.0428 0.0934
Loa Loa (eye worm) hypothetical protein 0.0059 0.0313 0.0537
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0032 0.006
Schistosoma mansoni hypothetical protein 0.019 0.1292 0.2404
Brugia malayi hypothetical protein 0.0039 0.0171 0.0323
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.0448 0.1043
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0066 0.0065
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0223 0.0228
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0066 0.0065
Entamoeba histolytica pyruvate kinase, putative 0.0176 0.1192 0.9202
Echinococcus multilocularis microtubule associated protein 2 0.0686 0.5004 0.4988
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0428 0.0991
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0448 0.2387
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0111 0.0151
Schistosoma mansoni hypothetical protein 0.0068 0.0383 0.0669
Trypanosoma brucei pyruvate kinase 1 0.0253 0.1763 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.0448 0.0418
Onchocerca volvulus 0.0074 0.0428 0.1195
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0166 0.0331
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0325
Onchocerca volvulus Pyruvate kinase homolog 0.0253 0.1763 0.5224
Trichomonas vaginalis glutaminase, putative 0.0551 0.399 1
Brugia malayi RNA recognition motif domain containing protein 0.0723 0.5277 1
Brugia malayi Smad1 0.0025 0.0066 0.0125
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0032 0.006
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0448 0.1043
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0111 0.0079
Onchocerca volvulus 0.0199 0.1367 0.4028
Echinococcus multilocularis geminin 0.0174 0.1175 0.1147
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0428 0.0758
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0223 0.1086
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.0448 0.0418
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0311 0.2201 0.2176
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0223 0.0228
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0068 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0162 0.0319
Entamoeba histolytica hypothetical protein 0.019 0.1292 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0345 0.2453 0.2429
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0289 0.0258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0032 0.006
Onchocerca volvulus 0.0074 0.0428 0.1195
Echinococcus multilocularis smad 0.0025 0.0066 0.0034
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0166 0.0757
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0223 0.0311
Schistosoma mansoni hypothetical protein 0.0031 0.0111 0.0151
Loa Loa (eye worm) pyruvate kinase 0.0253 0.1763 0.3301
Leishmania major hypothetical protein, conserved 0.0074 0.0428 0.2269
Mycobacterium tuberculosis Conserved protein 0.0074 0.0428 0.0934
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0066 0.0034
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0448 0.3281
Chlamydia trachomatis pyruvate kinase 0.0253 0.1763 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0223 0.1086
Schistosoma mansoni hypothetical protein 0.0031 0.0111 0.0151
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0068 0.0187
Schistosoma mansoni Smad4 0.0025 0.0066 0.0065
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0091 0.056 0.3034
Loa Loa (eye worm) MH2 domain-containing protein 0.0373 0.266 0.501
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0032 0.006
Schistosoma mansoni inositol monophosphatase 0.0039 0.0166 0.0257
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0111 0.021
Brugia malayi Pyruvate kinase, muscle isozyme 0.0253 0.1763 0.3341
Brugia malayi ecdysteroid receptor 0.0021 0.0032 0.006
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0032 0.006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0313 0.0537
Schistosoma mansoni tar DNA-binding protein 0.0723 0.5277 1
Schistosoma mansoni hypothetical protein 0.0047 0.0229 0.0377
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0162 0.0319
Schistosoma mansoni smad1 5 8 and 0.0025 0.0066 0.0065
Schistosoma mansoni cellular tumor antigen P53 0.0198 0.1358 0.2529
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0223 0.0228
Brugia malayi follicle stimulating hormone receptor 0.0218 0.1509 0.2859
Entamoeba histolytica hypothetical protein 0.019 0.1292 1
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0044 0.0202 0.0964
Brugia malayi MH1 domain containing protein 0.0025 0.0066 0.0125
Schistosoma mansoni hypothetical protein 0.031 0.2191 0.4116
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0253 0.1763 0.5008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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) 3.1623 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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