Detailed information for compound 1036832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 237.689 | Formula: C10H12ClN5
  • H donors: 3 H acceptors: 1 LogP: 1.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1ccc(cc1)c1nc[nH]c1.Cl
  • InChi: 1S/C10H11N5.ClH/c11-10(12)15-8-3-1-7(2-4-8)9-5-13-6-14-9;/h1-6H,(H,13,14)(H4,11,12,15);1H
  • InChiKey: TXRKRAVRHSUAAI-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.0144 0.0171
Echinococcus granulosus protein kinase shaggy 0.0048 0.0144 0.0204
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0087 0.0548 0.0505
Entamoeba histolytica DNA topoisomerase II, putative 0.0683 0.6644 1
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0473 0.4491 0.4482
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0006
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0061 0.0277 0.0417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0657 0.0988
Brugia malayi Pre-SET motif family protein 0.0211 0.1817 0.2734
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0018 0.0026
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Brugia malayi Cyclin, N-terminal domain containing protein 0.0248 0.219 0.3296
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0131 0.0999 0.0957
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0069 0.0359 0.0515
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0046 0.0043
Brugia malayi Trypsin family protein 0.0096 0.0633 0.0953
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0069 0.0359 0.0443
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0683 0.6644 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0436 0.4117 1
Plasmodium vivax DNA gyrase subunit A, putative 0.1011 1 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0683 0.6644 0.6638
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0069 0.0359 0.0527
Trypanosoma cruzi trypanothione reductase, putative 0.0112 0.0801 0.0999
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.0835 0.0793
Schistosoma mansoni dopamine-beta-monooxygenase 0.0227 0.1977 0.2975
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0144 0.0191
Loa Loa (eye worm) dihydrofolate reductase 0.0087 0.0548 0.0825
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0144 0.0191
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.0144 0.0191
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0038 0.0046 0.0028
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0059 0.0258 0.0389
Trypanosoma cruzi DNA topoisomerase II, putative 0.0614 0.594 0.7486
Loa Loa (eye worm) DNA topoisomerase III 0.0069 0.0359 0.054
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0069 0.0359 0.054
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0064
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.029 0.0356
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.1 0.0958
Schistosoma mansoni endoplasmin 0.0038 0.0046 0.0069
Plasmodium vivax DNA gyrase subunit B, putative 0.0674 0.655 0.6544
Trypanosoma brucei DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0046 0.0043
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0265 0.0399
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0046 0.0047
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0131 0.1 0.1494
Loa Loa (eye worm) hypothetical protein 0.0278 0.2499 0.3762
Brugia malayi GRF zinc finger family protein 0.0069 0.0359 0.054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0657 0.0976
Trypanosoma brucei Heat shock protein 83, putative 0.0038 0.0046 0.0047
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0052 0.0054
Leishmania major developmentally regulated phosphoprotein-like protein 0.0038 0.0046 0.0047
Trichomonas vaginalis receptor histidine kinase, putative 0.0038 0.0046 0.0043
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0131 0.0999 0.1481
Chlamydia trachomatis DNA topoisomerase I 0.0069 0.0359 0.0314
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0302 0.2741 0.2728
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.012 0.0881 0.1314
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Leishmania major DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Chlamydia trachomatis DNA gyrase subunit B 0.0548 0.5263 0.5241
Schistosoma mansoni peptidylglycine monooxygenase 0.012 0.0881 0.1326
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0052 0.0054
Giardia lamblia NADH oxidase lateral transfer candidate 0.0039 0.0052 0.0009
Trypanosoma cruzi DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Loa Loa (eye worm) hypothetical protein 0.008 0.0476 0.0716
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0538 0.516 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0657 0.0988
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0144 0.0159
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0039 0.0052 0.0034
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0069 0.0359 0.0515
Mycobacterium tuberculosis Hypothetical protein 0.0102 0.0697 0.0655
Brugia malayi hypothetical protein 0.0124 0.0919 0.1383
Plasmodium falciparum glutathione reductase 0.0039 0.0052 0.0034
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0046 0.0047
Trypanosoma cruzi DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Echinococcus multilocularis caax prenyl protease 1 0.0069 0.0359 0.0528
Brugia malayi thymidylate synthase 0.0214 0.1847 0.278
Echinococcus granulosus thioredoxin glutathione reductase 0.0112 0.0801 0.1193
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.029 0.0246
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0038 0.0046 0.0028
Toxoplasma gondii thioredoxin reductase 0.0112 0.0801 0.0784
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0069 0.0359 0.054
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0131 0.0999 0.0983
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.006 0.0043
Trypanosoma brucei developmentally regulated phosphoprotein 0.0038 0.0046 0.0047
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0131 0.0999 0.1249
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0206 0.1763 0.4218
Toxoplasma gondii NADPH-glutathione reductase 0.0039 0.0052 0.0034
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0039 0.0052 0.0034
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0046 0.0047
Echinococcus multilocularis heat shock protein 0.0038 0.0046 0.0056
Loa Loa (eye worm) thioredoxin reductase 0.0112 0.0801 0.1205
Schistosoma mansoni transcription factor btf3 0.0035 0.0018 0.0026
Trypanosoma brucei DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Loa Loa (eye worm) TOPoisomerase family member 0.0683 0.6644 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0039 0.0052 0.0054
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.012 0.0881 0.1326
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0683 0.6644 1
Leishmania major S-adenosylhomocysteine hydrolase 0.0131 0.0999 0.1249
Trichomonas vaginalis sensor histidine kinase, putative 0.0038 0.0046 0.0043
Plasmodium falciparum thioredoxin reductase 0.0039 0.0052 0.0034
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0039 0.0052 0.0054
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0538 0.516 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0054
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1817 0.2734
Plasmodium vivax DNA topoisomerase 3, putative 0.0069 0.0359 0.0342
Brugia malayi kinase, mitochondrial precursor 0.0038 0.0046 0.0069
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0674 0.655 0.6534
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0038 0.0046 0.0047
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0038 0.0046 0.0056
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0069 0.0359 0.0442
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0078
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0039 0.0052 0.0054
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0069 0.0359 0.0442
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0657 0.0988
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.016 0.0241
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0144 0.0191
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trichomonas vaginalis receptor histidine kinase, putative 0.0038 0.0046 0.0043
Loa Loa (eye worm) thymidylate synthase 0.0214 0.1847 0.278
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0046 0.0028
Echinococcus granulosus heat shock protein 0.0038 0.0046 0.0056
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0302 0.2741 0.2728
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0112 0.0801 0.0758
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0069 0.0359 0.0516
Entamoeba histolytica DNA topoisomerase III, putative 0.0069 0.0359 0.0515
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0039 0.0052 0.0034
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.116 0.1746
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.029 0.0424
Schistosoma mansoni DNA topoisomerase II 0.0683 0.6644 1
Schistosoma mansoni pyruvate dehydrogenase 0.0038 0.0046 0.0069
Echinococcus multilocularis transcription factor btf3 0.0035 0.0018 0.0013
Trypanosoma cruzi Heat shock protein 83, putative 0.0038 0.0046 0.0047
Schistosoma mansoni heat shock protein 0.0038 0.0046 0.0069
Loa Loa (eye worm) heat shock protein 90 0.0038 0.0046 0.0069
Echinococcus multilocularis adenosylhomocysteinase 0.0131 0.0999 0.1492
Entamoeba histolytica CAAX prenyl protease, putative 0.0069 0.0359 0.0516
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.1011 1 1
Onchocerca volvulus 0.024 0.2115 0.3929
Plasmodium falciparum DNA topoisomerase 3, putative 0.0069 0.0359 0.0342
Mycobacterium tuberculosis Probable reductase 0.0115 0.0835 0.0793
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0018 0.0011
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.116 0.1735
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0097 0.008
Loa Loa (eye worm) hypothetical protein 0.0278 0.2499 0.3762
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0087 0.0548 0.1234
Trichomonas vaginalis set domain proteins, putative 0.024 0.2115 0.3166
Brugia malayi Thioredoxin reductase 0.0112 0.0801 0.1205
Onchocerca volvulus 0.0069 0.0359 0.0427
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0131 0.1 0.1251
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.012 0.0881 0.1314
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0131 0.0999 0.1481
Plasmodium vivax heat shock protein 86, putative 0.0038 0.0046 0.0028
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0069 0.0359 0.0443
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0144 0.0217
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.1 0.1505
Loa Loa (eye worm) adenosylhomocysteinase 0.0131 0.0999 0.1503
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0265 0.0387
Loa Loa (eye worm) peptidase family M48 containing protein 0.0069 0.0359 0.0541
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0052 0.0006
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trypanosoma brucei DNA topoisomerase ii 0.0809 0.7931 1
Toxoplasma gondii aldehyde dehydrogenase 0.0131 0.1 0.0984
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0039 0.0052 0.0006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0657 0.0976
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0657 0.0976
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0097 0.0133
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0069 0.0359 0.0541
Plasmodium falciparum glutathione reductase 0.0112 0.0801 0.0784
Brugia malayi beta-NAC-like protein 0.0035 0.0018 0.0026
Loa Loa (eye worm) hypothetical protein 0.008 0.0476 0.0716
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0039 0.0052 0.0006
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.006 0.0064
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0265 0.0387
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0046 0.0047
Brugia malayi Peptidase family M48 containing protein 0.0069 0.0359 0.0541
Schistosoma mansoni hypothetical protein 0.0172 0.1415 0.2129
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0131 0.0999 0.1249
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0416 0.3916 0.5894
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0214 0.1847 0.1809
Toxoplasma gondii CAAX metallo endopeptidase 0.0069 0.0359 0.0342
Toxoplasma gondii aminotransferase, putative 0.0348 0.3215 0.3203
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0809 0.7931 1
Entamoeba histolytica protein kinase, putative 0.0048 0.0144 0.0191
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0038 0.0046 0.0043
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.0144 0.0217
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0041 0.0076 0.0089
Schistosoma mansoni adenosylhomocysteinase 0.0081 0.0486 0.0732
Onchocerca volvulus 0.0096 0.0633 0.0975
Schistosoma mansoni adenosylhomocysteinase 0.0081 0.0486 0.0732
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Leishmania major DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Brugia malayi heat shock protein 90 0.0038 0.0046 0.0069
Echinococcus multilocularis dihydrofolate reductase 0.0087 0.0548 0.0813
Schistosoma mansoni adenosylhomocysteinase 0.0081 0.0486 0.0732
Echinococcus multilocularis thymidylate synthase 0.0214 0.1847 0.277
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.1011 1 1
Brugia malayi dihydrofolate reductase family protein 0.0087 0.0548 0.0825
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0115 0.0835 0.1939
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Loa Loa (eye worm) endoplasmin 0.0038 0.0046 0.0069
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0131 0.0999 0.2341
Loa Loa (eye worm) acetyltransferase 0.0147 0.116 0.1746
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0038 0.0046 0.0056
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.0144 0.0127
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.0835 0.0793
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0614 0.594 0.7486
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0614 0.594 0.7486
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.029 0.0246
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0018 0.0011
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0069 0.0359 0.0314
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0131 0.0999 0.0957
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0039 0.0052 0.0006
Chlamydia trachomatis DNA gyrase subunit B 0.0674 0.655 0.6534
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0038 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.012 0.0881 0.1326
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.0835 0.0793
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.0144 0.0204
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.0835 0.0793
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0144 0.1127 0.1086
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0214 0.1847 0.4424
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.0144 0.0127
Mycobacterium tuberculosis Probable oxidoreductase 0.0144 0.1127 0.1086
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0097 0.008
Toxoplasma gondii adenosylhomocysteinase, putative 0.0131 0.0999 0.0983
Schistosoma mansoni adenosylhomocysteinase 0.0131 0.0999 0.1503
Schistosoma mansoni aldehyde dehydrogenase 0.0131 0.1 0.1505
Treponema pallidum NADH oxidase 0.0039 0.0052 0.0006
Brugia malayi intracellular kinase 0.0048 0.0144 0.0217
Brugia malayi hypothetical protein 0.0102 0.0697 0.105
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0633 0.0953
Echinococcus granulosus geminin 0.0172 0.1415 0.2119
Treponema pallidum DNA topoisomerase I (topA) 0.0069 0.0359 0.0314
Loa Loa (eye worm) hypothetical protein 0.0096 0.0633 0.0953
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0809 0.7931 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0674 0.655 0.6534
Leishmania major basic transcription factor 3a, putative 0.0035 0.0018 0.0011
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0683 0.6644 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0657 0.0988
Brugia malayi DNA topoisomerase III beta-1 0.0069 0.0359 0.054
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Trypanosoma brucei trypanothione reductase 0.0112 0.0801 0.0999
Giardia lamblia DNA topoisomerase III 0.0069 0.0359 0.0504
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.1011 1 1
Schistosoma mansoni hypothetical protein 0.0172 0.1415 0.2129
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0069 0.0359 0.0342
Mycobacterium ulcerans DNA topoisomerase I 0.0069 0.0359 0.0314
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0302 0.2741 0.3448
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0054
Trichomonas vaginalis DNA topoisomerase II, putative 0.0683 0.6644 1
Trichomonas vaginalis endoplasmin, putative 0.0038 0.0046 0.0043
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0039 0.0052 0.0034
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0069 0.0359 0.0527
Plasmodium vivax thioredoxin reductase, putative 0.0112 0.0801 0.0784
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0265 0.0387
Trichomonas vaginalis mercuric reductase, putative 0.0039 0.0052 0.0051
Trypanosoma brucei DNA topoisomerase IA, putative 0.0069 0.0359 0.0442
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0039 0.0052 0.0034
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0131 0.1 0.1494
Loa Loa (eye worm) glutathione reductase 0.0112 0.0801 0.1205
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.006 0.0023
Brugia malayi Probable DNA topoisomerase II 0.0683 0.6644 1
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0265 0.0387
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0039 0.0052 0.0006
Schistosoma mansoni jumonji domain containing protein 0.006 0.0265 0.0399
Echinococcus multilocularis rho GTPase activating protein 20 0.0069 0.0359 0.0527
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1011 1 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.012 0.0881 0.1326
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.029 0.0246
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0039 0.0052 0.0064
Toxoplasma gondii heat shock protein HSP90 0.0038 0.0046 0.0028
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.0046 0.0043
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0039 0.0052 0.0006
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0038 0.0046 0.0043
Leishmania major hypothetical protein, conserved 0.0038 0.0046 0.0047
Plasmodium falciparum DNA topoisomerase 2 0.0683 0.6644 0.6638
Giardia lamblia DNA topoisomerase III 0.0069 0.0359 0.0504
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0131 0.0999 0.1249
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.012 0.0881 0.1326
Plasmodium vivax glutathione reductase, putative 0.0112 0.0801 0.0784
Giardia lamblia DNA topoisomerase II 0.0645 0.6253 1
Echinococcus multilocularis heat shock protein 90 0.0038 0.0046 0.0056
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0097 0.012
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0069 0.0359 0.054
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.029 0.0424
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Schistosoma mansoni dihydrofolate reductase 0.0087 0.0548 0.0825
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.1 0.0958
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0265 0.0399
Brugia malayi Endoplasmin precursor 0.0038 0.0046 0.0069
Onchocerca volvulus 0.0214 0.1847 0.3394
Trichomonas vaginalis glutathione reductase, putative 0.0039 0.0052 0.0051
Chlamydia trachomatis DNA gyrase subunit A 0.0191 0.1611 0.1572
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Echinococcus multilocularis thioredoxin glutathione reductase 0.0112 0.0801 0.1193
Schistosoma mansoni adenosylhomocysteinase 0.0081 0.0486 0.0732
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0038 0.0046 0.0043
Plasmodium falciparum DNA gyrase subunit B 0.0674 0.655 0.6544
Loa Loa (eye worm) hypothetical protein 0.0049 0.016 0.0241
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0069 0.0359 0.0443
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Echinococcus multilocularis protein kinase shaggy 0.0048 0.0144 0.0204
Toxoplasma gondii DNA topoisomerase family protein 0.0069 0.0359 0.0342
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0087 0.0548 0.0505
Trypanosoma cruzi DNA topoisomerase II, putative 0.0614 0.594 0.7486
Mycobacterium ulcerans aldehyde dehydrogenase 0.0131 0.1 0.0958
Loa Loa (eye worm) hypothetical protein 0.0038 0.0046 0.0069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0657 0.0988
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0144 0.1127 0.1086
Brugia malayi jmjC domain containing protein 0.006 0.0265 0.0399
Plasmodium falciparum endoplasmin, putative 0.0038 0.0046 0.0028
Entamoeba histolytica DNA topoisomerase III, putative 0.0069 0.0359 0.0515
Leishmania major mitochondrial DNA topoisomerase II 0.0809 0.7931 1
Echinococcus multilocularis geminin 0.0172 0.1415 0.2119
Echinococcus granulosus thymidylate synthase 0.0214 0.1847 0.277
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Echinococcus granulosus caax prenyl protease 1 0.0069 0.0359 0.0528
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0018 0.0011
Schistosoma mansoni endoplasmin 0.0038 0.0046 0.0069
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.0144 0.0171
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0674 0.655 0.6534
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Onchocerca volvulus 0.0089 0.057 0.0848
Loa Loa (eye worm) hypothetical protein 0.0322 0.295 0.444
Loa Loa (eye worm) hypothetical protein 0.012 0.0881 0.1326
Trypanosoma brucei heat shock protein 90, putative 0.0038 0.0046 0.0047
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.0144 0.0127
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0069 0.0359 0.0443
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0302 0.2741 0.3448
Trypanosoma cruzi DNA topoisomerase III, putative 0.0069 0.0359 0.0442
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Plasmodium vivax DNA topoisomerase II, putative 0.0683 0.6644 0.6638
Loa Loa (eye worm) hypothetical protein 0.008 0.0476 0.0716
Echinococcus granulosus adenosylhomocysteinase 0.0131 0.0999 0.1492
Brugia malayi glutathione reductase 0.0112 0.0801 0.1205
Toxoplasma gondii heat shock protein 90, putative 0.0038 0.0046 0.0028
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0102 0.0697 0.0869
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.029 0.0437
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0046 0.0047
Giardia lamblia Kinase, CMGC GSK 0.0048 0.0144 0.0159
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0038 0.0046 0.0056
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0131 0.1 0.0958
Leishmania major DNA topoisomerase 1A 0.0069 0.0359 0.0442
Chlamydia trachomatis dihydrofolate reductase 0.0087 0.0548 0.0505
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0038 0.0046 0.0043
Mycobacterium ulcerans DNA gyrase subunit A 0.1011 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0683 0.6644 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0038 0.0046 0.0043
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.0144 0.0204
Loa Loa (eye worm) cyclin domain-containing protein 0.0248 0.219 0.3296
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0697 0.1026
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0302 0.2741 0.2728
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0097 0.012
Loa Loa (eye worm) hypothetical protein 0.0096 0.0633 0.0953
Plasmodium falciparum heat shock protein 90 0.0038 0.0046 0.0028
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0069 0.0359 0.0527
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0039 0.0052 0.0054
Brugia malayi Adenosylhomocysteinase 0.0131 0.0999 0.1503
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0069 0.0359 0.0769
Leishmania major DNA topoisomerase ii 0.0614 0.594 0.7486
Leishmania major trypanothione reductase 0.0112 0.0801 0.0999
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0538 0.516 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0265 0.0399
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0038 0.0046 0.0028
Brugia malayi jmjC domain containing protein 0.006 0.0265 0.0399
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0069 0.0359 0.0516
Schistosoma mansoni multidrug resistance protein 0.0035 0.0009 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0657 0.0976
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.1118 0.1672
Entamoeba histolytica adenosylhomocysteinase, putative 0.0131 0.0999 0.1481
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0039 0.0052 0.0078
Plasmodium falciparum thioredoxin reductase 0.0112 0.0801 0.0784
Schistosoma mansoni heat shock protein 0.0038 0.0046 0.0069
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.116 0.1746
Echinococcus granulosus dihydrofolate reductase 0.0087 0.0548 0.0813
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0214 0.1847 0.278
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Brugia malayi Dihydrofolate reductase 0.0087 0.0548 0.0825
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.0144 0.0217
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.0633 0.0953
Echinococcus granulosus heat shock protein 90 0.0038 0.0046 0.0056
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.021 0.0316
Entamoeba histolytica heat shock protein 90, putative 0.0038 0.0046 0.0043
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0097 0.008
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0302 0.2741 0.3448
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0039 0.0052 0.0054
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Trypanosoma brucei heat shock protein, putative 0.0038 0.0046 0.0047
Mycobacterium ulcerans DNA gyrase subunit B 0.0674 0.655 0.6534
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.0835 0.0793
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.016 0.0241
Trypanosoma brucei protein kinase, putative 0.0048 0.0144 0.0171
Plasmodium falciparum adenosylhomocysteinase 0.0131 0.0999 0.0983
Mycobacterium ulcerans thymidylate synthase 0.0214 0.1847 0.1809
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0038 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0416 0.3916 0.5894
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0144 0.1127 0.2656
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.016 0.0241
Plasmodium falciparum DNA gyrase subunit A 0.1011 1 1
Brugia malayi DNA topoisomerase III 0.0069 0.0359 0.054
Plasmodium vivax endoplasmin, putative 0.0038 0.0046 0.0028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0039 0.0052 0.0054
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0131 0.0999 0.0983
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.029 0.0437
Echinococcus granulosus transcription factor btf3 0.0035 0.0018 0.0013
Leishmania major heat shock protein 83-1 0.0038 0.0046 0.0047

Activities

Activity type Activity value Assay description Source Reference
Kb (functional) = 0.000003 uM Evaluated in vitro for histamine H2 receptor antagonist activity by using histamine-stimulated chronotropic response of the guinea pig atrium ChEMBL. 6142117

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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