Detailed information for compound 1436700

Basic information

Technical information
  • TDR Targets ID: 1436700
  • Name: N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydr azide
  • MW: 315.175 | Formula: C12H8Cl2N2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)Cl)Cl)NNC(=O)c1cccs1
  • InChi: 1S/C12H8Cl2N2O2S/c13-8-4-3-7(6-9(8)14)11(17)15-16-12(18)10-2-1-5-19-10/h1-6H,(H,15,17)(H,16,18)
  • InChiKey: CRMABLWTACFMPY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(3,4-dichlorophenyl)-oxomethyl]-2-thiophenecarbohydrazide
  • N'-(3,4-dichlorophenyl)carbonylthiophene-2-carbohydrazide
  • BAS 00678313
  • ZINC00296402
  • MLS000569044
  • SMR000175821
  • 3,4-Dichloro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Plasmodium vivax DNA repair protein REV1, putative 0.0022 0.0029 0.0175
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0039 0.0036
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0516
Schistosoma mansoni zinc finger protein 0.4257 1 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0367 0.084 0.0838
Echinococcus multilocularis lamin dm0 0.0027 0.0039 0.0036
Echinococcus granulosus dnaJ subfamily B 0.0476 0.1096 0.1094
Plasmodium vivax basic transcription factor 3b, putative 0.003 0.0047 0.0397
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.4257 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.0134 0.1442
Schistosoma mansoni hypothetical protein 0.0367 0.084 0.0838
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0054 0.0478
Treponema pallidum fructose-bisphosphate aldolase 0.0258 0.0583 0.6884
Schistosoma mansoni hypothetical protein 0.0476 0.1096 0.1094
Schistosoma mansoni pyruvate kinase 0.0033 0.0054 0.0051
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0016 0.0015 0.0012
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0035 0.0248
Brugia malayi Pre-SET motif family protein 0.0026 0.0039 0.0039
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0072 0.0146 0.0143
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0016 0.002
Chlamydia trachomatis pyruvate kinase 0.0033 0.0054 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0649 0.0646
Brugia malayi Hhat protein 0.0367 0.084 0.084
Entamoeba histolytica hypothetical protein, conserved 0.0367 0.084 1
Echinococcus multilocularis zinc finger protein 0.389 0.9136 0.9136
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0367 0.084 0.0838
Loa Loa (eye worm) hypothetical protein 0.0022 0.0029 0.0026
Loa Loa (eye worm) MBOAT family protein 0.4257 1 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0367 0.084 0.0838
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0367 0.084 1
Loa Loa (eye worm) MBOAT family protein 0.0367 0.084 0.0837
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Trichomonas vaginalis conserved hypothetical protein 0.0367 0.084 1
Entamoeba histolytica hypothetical protein 0.003 0.0047 0.0397
Leishmania major mitochondrial DNA polymerase beta 0.0261 0.059 0.6967
Giardia lamblia DINP protein human, muc B family 0.0072 0.0146 0.2313
Trypanosoma brucei chrX additional, unordered contigs 0.0022 0.0029 0.0175
Leishmania major pyruvate kinase 0.0033 0.0054 0.0478
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0067 0.0134 0.1442
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0367 0.084 0.0837
Trypanosoma brucei transcription factor BTF3, putative 0.003 0.0047 0.0397
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0004
Entamoeba histolytica transcription factor BTF3, putative 0.003 0.0047 0.0397
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0037 0.0063 0.0582
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0007 0.0004
Trypanosoma brucei unspecified product 0.005 0.0093 0.0954
Schistosoma mansoni pyruvate kinase 0.0033 0.0054 0.0051
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0054 0.0478
Plasmodium falciparum DNA repair protein REV1, putative 0.0022 0.0029 0.0175
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0039 0.0036
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0035 0.0248
Leishmania major DNA polymerase kappa, putative 0.0022 0.0029 0.0175
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0054 0.1386
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0119 0.0117
Brugia malayi ImpB/MucB/SamB family protein 0.0116 0.0251 0.0251
Brugia malayi MH2 domain containing protein 0.0103 0.0219 0.0219
Echinococcus granulosus histone lysine methyltransferase setb 0.0026 0.0039 0.0036
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0039 0.0036
Echinococcus granulosus transcription factor btf3 0.003 0.0047 0.0045
Leishmania major DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Leishmania major pyruvate kinase 0.0033 0.0054 0.0478
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0054 0.0478
Echinococcus granulosus zinc finger protein 0.389 0.9136 0.9136
Trypanosoma brucei hypothetical protein, conserved 0.0022 0.0029 0.0175
Echinococcus multilocularis pyruvate kinase 0.0026 0.0038 0.0035
Echinococcus granulosus sterol O acyltransferase 1 0.0367 0.084 0.0838
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0367 0.084 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0367 0.084 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0251 0.0248
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0119 0.1268
Loa Loa (eye worm) hhat protein 0.0367 0.084 0.0837
Brugia malayi intermediate filament protein 0.0027 0.0039 0.0039
Trypanosoma cruzi GUP1, putative 0.0367 0.084 1
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0054 0.0478
Mycobacterium tuberculosis Conserved hypothetical protein 0.0072 0.0146 0.4614
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0367 0.084 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0367 0.084 0.0838
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.0057 0.0054
Trichomonas vaginalis DNA polymerase eta, putative 0.0072 0.0146 0.1592
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0367 0.084 0.0838
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0367 0.084 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0367 0.084 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0025 0.0035 0.0032
Echinococcus granulosus lamin dm0 0.0027 0.0039 0.0036
Trichomonas vaginalis porcupine, putative 0.0367 0.084 1
Trypanosoma cruzi hypothetical protein, conserved 0.0022 0.0029 0.0175
Loa Loa (eye worm) hypothetical protein 0.0367 0.084 0.0837
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0119 0.0117
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0054 0.0191
Giardia lamblia Pyruvate kinase 0.0017 0.0016 0.003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0098 0.0095
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Giardia lamblia Pyruvate kinase 0.0033 0.0054 0.0695
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0054 0.0478
Toxoplasma gondii NAC domain-containing protein 0.003 0.0047 0.0397
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0367 0.084 0.0837
Onchocerca volvulus 0.0027 0.0039 0.0006
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Trypanosoma cruzi DNA damage repair protein, putative 0.0022 0.0029 0.0175
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.0145 0.0143
Trypanosoma brucei unspecified product 0.005 0.0093 0.0954
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0367 0.084 0.0838
Echinococcus granulosus intermediate filament protein 0.0027 0.0039 0.0036
Brugia malayi MBOAT family protein 0.0367 0.084 0.084
Echinococcus granulosus pyruvate kinase 0.0017 0.0016 0.0014
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0261 0.059 0.6967
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0098 0.0095
Trypanosoma brucei DNA polymerase IV, putative 0.0072 0.0146 0.1592
Echinococcus multilocularis transcription factor btf3 0.003 0.0047 0.0045
Trypanosoma cruzi DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0367 0.084 0.0838
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0036
Schistosoma mansoni pyruvate kinase 0.0017 0.0016 0.0014
Brugia malayi diacylglycerol acyltransferase 0.0367 0.084 0.084
Leishmania major basic transcription factor 3a, putative 0.003 0.0047 0.0397
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0261 0.059 0.6967
Entamoeba histolytica deoxycytidyl transferase, putative 0.0072 0.0146 0.1592
Echinococcus multilocularis pyruvate kinase 0.0017 0.0016 0.0014
Leishmania major glycerol uptake protein, putative 0.0367 0.084 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0035 0.0248
Schistosoma mansoni hypothetical protein 0.0058 0.0114 0.0111
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0367 0.084 0.0838
Echinococcus multilocularis pyruvate kinase 0.0033 0.0054 0.0051
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0054 0.0051
Brugia malayi hypothetical protein 0.0034 0.0057 0.0057
Echinococcus multilocularis dnaJ subfamily B 0.0476 0.1096 0.1094
Trichomonas vaginalis conserved hypothetical protein 0.0367 0.084 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0037 0.0063 0.0582
Trypanosoma cruzi hypothetical protein, conserved 0.0022 0.0029 0.0175
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0054 0.0054
Echinococcus multilocularis sterol O acyltransferase 1 0.0367 0.084 0.0838
Onchocerca volvulus 0.0367 0.084 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0047 0.0397
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.018 0.0401 0.0398
Brugia malayi CXXC zinc finger family protein 0.0033 0.0055 0.0055
Loa Loa (eye worm) MBOAT family protein 0.0367 0.084 0.0837
Schistosoma mansoni hypothetical protein 0.0311 0.0709 0.0706
Schistosoma mansoni ap endonuclease 0.0016 0.0015 0.0012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0054 0.0191
Trypanosoma brucei DNA polymerase eta, putative 0.0116 0.0251 0.2859
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.001 0.0007
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0035 0.0248
Brugia malayi hypothetical protein 0.0016 0.0014 0.0014
Trichomonas vaginalis set domain proteins, putative 0.0205 0.0459 0.5385
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0093 0.0954
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0003
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0367 0.084 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0367 0.084 0.0838
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0016 0.0015 0.0012
Entamoeba histolytica hypothetical protein 0.0367 0.084 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.0649 0.0646
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0057 0.0054
Trypanosoma cruzi DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Schistosoma mansoni terminal deoxycytidyl transferase 0.0072 0.0146 0.0143
Trypanosoma cruzi DNA damage repair protein, putative 0.0022 0.0029 0.0175
Loa Loa (eye worm) ICD-1 protein 0.003 0.0047 0.0044
Echinococcus granulosus pyruvate kinase 0.0033 0.0054 0.0051
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0114 0.0114
Schistosoma mansoni cpg binding protein 0.0035 0.006 0.0057
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0072 0.0146 0.1592
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Loa Loa (eye worm) hypothetical protein 0.0025 0.0035 0.0032
Brugia malayi MBOAT family protein 0.0367 0.084 0.084
Loa Loa (eye worm) MH2 domain-containing protein 0.0103 0.0219 0.0216
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0516
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0016 0.002
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0022 0.0029 0.0175
Brugia malayi hypothetical protein 0.0286 0.0649 0.0649
Schistosoma mansoni cpg binding protein 0.0033 0.0055 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Schistosoma mansoni hypothetical protein 0.0311 0.0709 0.0706
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0031 0.0028
Mycobacterium ulcerans DNA polymerase IV 0.0072 0.0146 0.4614
Echinococcus granulosus dna polymerase eta 0.0116 0.0251 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0026 0.0039 0.0036
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0035 0.0248
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0516
Leishmania major DNA polymerase eta, putative 0.0067 0.0134 0.1442
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0003 0.0003
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0026 0.0039 0.0036
Echinococcus multilocularis lamin 0.0027 0.0039 0.0036
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0054 0.0191
Echinococcus granulosus lamin 0.0027 0.0039 0.0036
Brugia malayi exodeoxyribonuclease III family protein 0.0016 0.0015 0.0015
Schistosoma mansoni DNA polymerase eta 0.0116 0.0251 0.0248
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Treponema pallidum alginate O-acetylation protein (algI) 0.0367 0.084 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0098 0.0095
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0007 0.0004
Echinococcus multilocularis pyruvate kinase 0.0017 0.0016 0.0014
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0047 0.0397
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0261 0.059 0.6967
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0119 0.1268
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0649 0.0646
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0367 0.084 0.0838
Loa Loa (eye worm) hypothetical protein 0.0367 0.084 0.0837
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Schistosoma mansoni DNA polymerase IV / kappa 0.0022 0.0029 0.0026
Brugia malayi polk-prov protein 0.0022 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0027 0.0039 0.0036
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0367 0.084 0.0838
Trypanosoma brucei glycerol uptake protein, putative 0.0367 0.084 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0367 0.084 1
Plasmodium falciparum pyruvate kinase 0.0033 0.0054 0.0478
Trypanosoma cruzi DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0037 0.0063 0.0582
Echinococcus multilocularis pyruvate kinase 0.0017 0.0016 0.0014
Echinococcus multilocularis musashi 0.0027 0.0039 0.0036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0098 0.0095
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0367 0.084 0.0838
Trypanosoma brucei DNA damage repair protein, putative 0.0022 0.0029 0.0175
Leishmania major glycerol uptake protein, putative 0.0367 0.084 1
Schistosoma mansoni hypothetical protein 0.0034 0.0057 0.0054
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0072 0.0146 0.1592
Trypanosoma brucei DNA polymerase IV, putative 0.0072 0.0146 0.1592
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0098 0.0095
Toxoplasma gondii hypothetical protein 0.0042 0.0075 0.0736
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.0057 0.0054
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0026 0.0039 0.0036
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0026 0.0039 0.0292
Onchocerca volvulus 0.0058 0.0114 0.0933
Mycobacterium ulcerans DNA polymerase IV 0.0072 0.0146 0.4614
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0072 0.0146 0.0143
Loa Loa (eye worm) transcription factor SMAD2 0.0103 0.0219 0.0216
Entamoeba histolytica hypothetical protein 0.0034 0.0057 0.0516
Leishmania major glycerol uptake protein, putative 0.0367 0.084 1
Leishmania major DNA damage repair protein, putative 0.0022 0.0029 0.0175
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0367 0.084 0.0838
Schistosoma mansoni ap endonuclease 0.0016 0.0015 0.0012
Entamoeba histolytica vacuolar protein sorting 26 0.0367 0.084 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0367 0.084 1
Schistosoma mansoni lamin 0.0027 0.0039 0.0036
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0054 0.0478
Echinococcus granulosus o acyltransferase membrane bound domain 0.0367 0.084 0.0838
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0029 0.0175
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0055 0.0052
Schistosoma mansoni intermediate filament proteins 0.0027 0.0039 0.0036
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0072 0.0146 0.4614
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.4257 1 1
Schistosoma mansoni transcription factor btf3 0.003 0.0047 0.0045
Echinococcus multilocularis geminin 0.0311 0.0709 0.0706
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0123 0.0267 0.3053
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0054 0.1386
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0123 0.0267 0.3053
Brugia malayi hypothetical protein 0.0025 0.0035 0.0035
Echinococcus granulosus o acyltransferase membrane bound domain 0.0367 0.084 0.0838
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0093 0.0954
Plasmodium vivax SET domain protein, putative 0.0026 0.0039 0.0292
Brugia malayi MBOAT family protein 0.0367 0.084 0.084
Giardia lamblia DNA damage repair protein 0.0022 0.0029 0.0254
Onchocerca volvulus 0.0033 0.0055 0.0203
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0037 0.0063 0.0582
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Trypanosoma cruzi DNA polymerase eta, putative 0.0116 0.0251 0.2859
Echinococcus multilocularis dna polymerase kappa 0.0072 0.0146 0.0143
Leishmania major hypothetical protein, conserved 0.0367 0.084 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0367 0.084 0.0838
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0054 0.0054
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0054 0.0478
Echinococcus multilocularis dna polymerase eta 0.0116 0.0251 0.0248
Onchocerca volvulus 0.0027 0.0039 0.0006
Leishmania major glycerol uptake protein, putative 0.0367 0.084 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0016 0.0014
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0119 0.3674
Brugia malayi beta-NAC-like protein 0.003 0.0047 0.0047
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0367 0.084 0.0838
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0031 0.0194
Echinococcus granulosus cpg binding protein 0.0035 0.006 0.0057
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0119 0.3674
Trypanosoma cruzi glycerol uptake protein, putative 0.0367 0.084 1
Brugia malayi Pre-SET motif family protein 0.018 0.0401 0.0401
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0126 0.0273 0.906
Loa Loa (eye worm) hypothetical protein 0.0367 0.084 0.0837
Trypanosoma brucei hypothetical protein, conserved 0.0022 0.0029 0.0175
Mycobacterium ulcerans hypothetical protein 0.0022 0.0029 0.0507
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0119 0.3674
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0047 0.0397
Trypanosoma brucei DNA polymerase IV, putative 0.0072 0.0146 0.1592
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0047 0.0397
Trichomonas vaginalis conserved hypothetical protein 0.0367 0.084 1
Onchocerca volvulus 0.0205 0.0459 0.5246
Echinococcus multilocularis pyruvate kinase 0.0033 0.0054 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Echinococcus granulosus dna polymerase kappa 0.0072 0.0146 0.0143
Leishmania major glycerol uptake protein, putative 0.0367 0.084 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0098 0.0095
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0072 0.0146 0.0143
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0016 0.0015 0.0012
Echinococcus granulosus pyruvate kinase 0.0017 0.0016 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0016 0.002
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0039 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Loa Loa (eye worm) hypothetical protein 0.0033 0.0054 0.0051
Schistosoma mansoni cpg binding protein 0.0035 0.006 0.0057
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0082 0.0811
Loa Loa (eye worm) hypothetical protein 0.0367 0.084 0.0837
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0054 0.0051
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0054 0.0051
Echinococcus granulosus geminin 0.0311 0.0709 0.0706
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0016 0.0015 0.5
Trypanosoma brucei DNA damage repair protein, putative 0.0022 0.0029 0.0175
Schistosoma mansoni lamin 0.0027 0.0039 0.0036
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0126 0.0273 1
Toxoplasma gondii hypothetical protein 0.0367 0.084 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0128 0.1368
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0367 0.084 0.0838
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0035 0.0248
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0119 0.0117
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0098 0.0098
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0054 0.0478
Brugia malayi ImpB/MucB/SamB family protein 0.0072 0.0146 0.0146
Trypanosoma brucei unspecified product 0.0072 0.0146 0.1592
Trypanosoma cruzi GUP1, putative 0.0367 0.084 1
Plasmodium falciparum basic transcription factor 3b, putative 0.003 0.0047 0.0397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0098 0.0095
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0123 0.0267 0.3053
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0072 0.0146 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0072 0.0146 0.1592
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0039 0.0036
Leishmania major DNA polymerase eta, putative 0.0116 0.0251 0.2859
Mycobacterium ulcerans hypothetical protein 0.0137 0.03 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0367 0.084 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0026 0.0039 0.0036
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.001 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0098 0.0095
Mycobacterium tuberculosis Conserved hypothetical protein 0.0137 0.03 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0035
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0367 0.084 0.0838
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0035 0.0248
Echinococcus multilocularis cpg binding protein 0.0035 0.006 0.0057
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0119 0.0117
Schistosoma mansoni survival motor neuron protein 0.0058 0.0114 0.0111
Echinococcus granulosus pyruvate kinase 0.0033 0.0054 0.0051
Giardia lamblia Fructose-bisphosphate aldolase 0.0258 0.0583 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0031 0.0028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0258 0.0583 0.6884
Leishmania major hypothetical protein, conserved 0.0025 0.0035 0.0248
Loa Loa (eye worm) hhat protein 0.0367 0.084 0.0837
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0367 0.084 0.0838
Brugia malayi MBOAT family protein 0.0367 0.084 0.084
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0126 0.0273 0.906
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0047 0.0397
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0029 0.0175
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0022 0.0029 0.0175
Trypanosoma brucei glycerol uptake protein, putative 0.0367 0.084 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0367 0.084 0.0838
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0119 0.3674
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.0093 0.0954

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

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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