Detailed information for compound 1855782

Basic information

Technical information
  • TDR Targets ID: 1855782
  • Name: ZINC01879834
  • MW: 343.301 | Formula: C13H13N9O3
  • H donors: 2 H acceptors: 6 LogP: -0.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccncc1
  • InChi: 1S/C13H13N9O3/c1-24-7-9-10(17-21-22(9)12-11(14)19-25-20-12)13(23)18-16-6-8-2-4-15-5-3-8/h2-6H,7H2,1H3,(H2,14,19)(H,18,23)/b16-6+
  • InChiKey: VLCYQQRUPAJZEY-OMCISZLKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
Echinococcus granulosus guanine nucleotide binding protein Gs 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0028 0.0031 0.0179
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0045 0.0072 0.0066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0415 0.0957 0.5322
Trypanosoma cruzi DNA topoisomerase III, putative 0.0071 0.0134 0.0746
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0028 0.0031 0.0179
Onchocerca volvulus 0.0033 0.0042 0.0452
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0045 0.0072 0.0066
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.041 0.0944 0.4304
Schistosoma mansoni endoplasmin 0.0072 0.0137 0.1214
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0028 0.025
Trichomonas vaginalis heat shock protein, putative 0.0072 0.0137 0.1214
Trypanosoma cruzi heat shock protein 90, putative 0.0072 0.0137 0.0763
Loa Loa (eye worm) beta-lactamase 0.0033 0.0042 0.0373
Loa Loa (eye worm) hypothetical protein 0.0024 0.0021 0.0188
Echinococcus granulosus lamin dm0 0.0025 0.0022 0.0198
Trichomonas vaginalis sensor histidine kinase, putative 0.0045 0.0072 0.0639
Leishmania major DNA topoisomerase ii 0.0415 0.0957 0.5337
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0027 0.0028 0.0157
Plasmodium vivax heat shock protein 86, putative 0.0072 0.0137 0.0626
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Loa Loa (eye worm) hypothetical protein 0.018 0.0395 0.3503
Giardia lamblia Pms1-like protein 0.0045 0.0072 0.0653
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0042 0.0234
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0022 0.0198
Treponema pallidum heat shock protein 90 0.0027 0.0028 0.0102
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0031 0.0274
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0045 0.0072 0.0066
Echinococcus multilocularis musashi 0.0025 0.0022 0.0129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0096 0.0848
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0071 0.0134 0.1186
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Leishmania major developmentally regulated phosphoprotein-like protein 0.0045 0.0072 0.0402
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0071 0.0134 0.0972
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0045 0.0072 0.0066
Trichomonas vaginalis set domain proteins, putative 0.0224 0.0499 0.4426
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.041 0.0944 0.0939
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0096 0.0848
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0071 0.0134 0.0746
Plasmodium falciparum DNA gyrase subunit B 0.093 0.2186 1
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbA 0.4198 1 1
Trypanosoma brucei DNA topoisomerase ii 0.0765 0.1793 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0046 0.0073 0.0406
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0022 0.0198
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0042 0.0192
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0045 0.0072 0.0066
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.042
Loa Loa (eye worm) hypothetical protein 0.0241 0.054 0.4788
Chlamydia trachomatis DNA topoisomerase I 0.0071 0.0134 0.0292
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.041 0.0944 0.6866
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0033 0.0042 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0042 0.0234
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0071 0.0134 0.0772
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0765 0.1793 1
Echinococcus multilocularis lamin 0.0025 0.0022 0.0129
Schistosoma mansoni glutaminase 0.0249 0.056 0.4967
Giardia lamblia Heat shock protein HSP 90-alpha 0.0072 0.0137 0.1292
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0042 0.0373
Mycobacterium leprae Probable two component sensor kinase MprB 0.0045 0.0072 0.0044
Trypanosoma cruzi DNA topoisomerase III, putative 0.0071 0.0134 0.0746
Echinococcus granulosus muscleblind protein 0.018 0.0395 0.3503
Trichomonas vaginalis DNA topoisomerase II, putative 0.0487 0.1127 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0096 0.0848
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0028 0.0031 0.0225
Entamoeba histolytica heat shock protein 90, putative 0.0072 0.0137 0.1214
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0045 0.0072 0.0066
Loa Loa (eye worm) hypothetical protein 0.0025 0.0022 0.0198
Leishmania major DNA topoisomerase 1A 0.0071 0.0134 0.0746
Brugia malayi intermediate filament protein 0.0025 0.0022 0.0198
Trichomonas vaginalis penicillin-binding protein, putative 0.0033 0.0042 0.0373
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0022 0.0198
Brugia malayi heat shock protein 90 0.0072 0.0137 0.1214
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0072 0.033
Mycobacterium ulcerans glutaminase 0.0249 0.056 0.0554
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0045 0.0072 0.0066
Trypanosoma cruzi heat shock protein 85, putative 0.0027 0.0028 0.0157
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0045 0.0072 0.0066
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0071 0.0134 0.0106
Brugia malayi beta-lactamase family protein 0.0033 0.0042 0.0373
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.042
Echinococcus multilocularis lamin dm0 0.0025 0.0022 0.0129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0487 0.1127 0.6505
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Mycobacterium ulcerans putative regultory protein 0.0045 0.0072 0.0066
Giardia lamblia DNA topoisomerase III 0.0071 0.0134 0.1262
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0045 0.0072 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0031 0.0274
Trypanosoma brucei Heat shock protein 83, putative 0.0072 0.0137 0.0732
Mycobacterium leprae Probable two-component sensor kinase 0.0045 0.0072 0.0044
Brugia malayi beta-lactamase family protein 0.0033 0.0042 0.0373
Schistosoma mansoni lamin 0.0025 0.0022 0.0198
Loa Loa (eye worm) endoplasmin 0.0072 0.0137 0.1214
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Mycobacterium tuberculosis Probable esterase LipL 0.0033 0.0042 0.0036
Echinococcus granulosus geminin 0.0155 0.0333 0.2956
Brugia malayi glutaminase DH11.1 0.0249 0.056 0.4967
Plasmodium falciparum endoplasmin, putative 0.0059 0.0105 0.0482
Trichomonas vaginalis glutaminase, putative 0.0249 0.056 0.4967
Schistosoma mansoni hypothetical protein 0.0155 0.0333 0.2956
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0006 0.0053
Schistosoma mansoni ap endonuclease 0.0018 0.0006 0.0053
Brugia malayi Pre-SET motif family protein 0.0197 0.0434 0.3849
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0045 0.0072 0.0639
Plasmodium falciparum DNA gyrase subunit A 0.041 0.0944 0.432
Schistosoma mansoni pyruvate dehydrogenase 0.0045 0.0072 0.0639
Trichomonas vaginalis receptor histidine kinase, putative 0.0045 0.0072 0.0639
Mycobacterium ulcerans lipase LipD 0.0033 0.0042 0.0036
Mycobacterium tuberculosis Probable lipase LipE 0.0033 0.0042 0.0036
Plasmodium vivax DNA gyrase subunit A, putative 0.041 0.0944 0.432
Chlamydia trachomatis DNA gyrase subunit B 0.093 0.2186 1
Echinococcus granulosus lamin 0.0025 0.0022 0.0198
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 0.4198 1 1
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Echinococcus granulosus endoplasmin 0.0027 0.0028 0.025
Trypanosoma cruzi DNA topoisomerase III, putative 0.0071 0.0134 0.0746
Trypanosoma brucei DNA topoisomerase III, putative 0.0071 0.0134 0.0715
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0096 0.0848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0031 0.0274
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0033 0.0042 0.0373
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Mycobacterium ulcerans hypothetical protein 0.0033 0.0042 0.0036
Mycobacterium tuberculosis Conserved protein 0.0033 0.0042 0.0036
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.0103 0.0573
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0071 0.0134 0.1186
Mycobacterium ulcerans heat shock protein 90 0.0027 0.0028 0.0022
Mycobacterium ulcerans two component sensor kinase MprB 0.0045 0.0072 0.0066
Onchocerca volvulus 0.0025 0.0022 0.024
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0487 0.1127 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0045 0.0072 0.0066
Giardia lamblia Heat shock protein HSP 90-alpha 0.0027 0.0028 0.022
Leishmania major hypothetical protein, conserved 0.0033 0.0042 0.0234
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0071 0.0134 0.0586
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0045 0.0072 0.0639
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0045 0.0072 0.0066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0033 0.0042 0.0373
Trypanosoma cruzi heat shock protein 85, putative 0.0072 0.0137 0.0763
Mycobacterium ulcerans esterase/lipase LipP 0.0033 0.0042 0.0036
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0591 0.1376 1
Entamoeba histolytica heat shock protein 90, putative 0.0072 0.0137 0.1214
Entamoeba histolytica DNA topoisomerase III, putative 0.0071 0.0134 0.1186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0096 0.0551
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.093 0.2186 0.2181
Trypanosoma cruzi DNA topoisomerase II, putative 0.0415 0.0957 0.5337
Plasmodium vivax SET domain protein, putative 0.0028 0.0031 0.0141
Brugia malayi Muscleblind-like protein 0.018 0.0395 0.3503
Trichomonas vaginalis penicillin-binding protein, putative 0.0033 0.0042 0.0373
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0042 0.0373
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0006 0.0033
Schistosoma mansoni ap endonuclease 0.0018 0.0006 0.0053
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0045 0.0072 0.0639
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbA (arabinosylindolylacetylinositol synthase) 0.4198 1 1
Loa Loa (eye worm) glutaminase 2 0.0249 0.056 0.4967
Trichomonas vaginalis receptor histidine kinase, putative 0.0045 0.0072 0.0639
Schistosoma mansoni heat shock protein 0.0072 0.0137 0.1214
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0006 0.0027
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0197 0.0434 0.3849
Chlamydia trachomatis DNA gyrase subunit A 0.041 0.0944 0.4126
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0053 0.0091 0.0505
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0071 0.0134 0.1186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0045 0.0072 0.037
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0006 0.0027
Leishmania major mitochondrial DNA topoisomerase II 0.0765 0.1793 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0033 0.0042 0.0373
Chlamydia trachomatis DNA gyrase subunit A 0.0092 0.0183 0.0524
Echinococcus granulosus intermediate filament protein 0.0025 0.0022 0.0198
Toxoplasma gondii heat shock protein HSP90 0.0072 0.0137 0.0994
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Trypanosoma cruzi heat shock protein 85, putative 0.0072 0.0137 0.0763
Plasmodium falciparum DNA topoisomerase 2 0.0487 0.1127 0.5155
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0033 0.0042 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.074 0.1733 1
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0045 0.0072 0.0066
Trypanosoma brucei developmentally regulated phosphoprotein 0.0045 0.0072 0.037
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0028 0.0252
Echinococcus multilocularis beta LACTamase domain containing family member 0.0033 0.0042 0.0243
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Trypanosoma brucei heat shock protein 90, putative 0.0072 0.0137 0.0732
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0033 0.0042 0.0036
Entamoeba histolytica DNA topoisomerase III, putative 0.0071 0.0134 0.1186
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0045 0.0072 0.0402
Brugia malayi beta-lactamase 0.0033 0.0042 0.0373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0096 0.0848
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbB 0.4198 1 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0045 0.0072 0.0044
Echinococcus granulosus heat shock protein 90 0.0027 0.0028 0.025
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0045 0.0072 0.033
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0006 0.0053
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0765 0.1793 1
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0045 0.0072 0.0402
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0031 0.0274
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0033 0.0042 0.0373
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0045 0.0072 0.0639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0487 0.1127 1
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0045 0.0072 0.0303
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Trypanosoma cruzi heat shock protein 90, putative 0.0059 0.0103 0.0577
Entamoeba histolytica DNA topoisomerase II, putative 0.0487 0.1127 1
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Mycobacterium tuberculosis Probable two component sensor kinase 0.0045 0.0072 0.0066
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Plasmodium falciparum DNA topoisomerase 3, putative 0.0071 0.0134 0.0612
Treponema pallidum DNA topoisomerase I (topA) 0.0071 0.0134 0.0586
Mycobacterium tuberculosis Possible penicillin-binding protein 0.021 0.0465 0.046
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0006 0.0034
Mycobacterium ulcerans beta-lactamase 0.0033 0.0042 0.0036
Loa Loa (eye worm) hypothetical protein 0.018 0.0395 0.3503
Plasmodium vivax DNA topoisomerase II, putative 0.0487 0.1127 0.5155
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0415 0.0957 0.5322
Leishmania major hypothetical protein, conserved 0.0045 0.0072 0.0402
Echinococcus granulosus heat shock protein 0.0072 0.0137 0.1214
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0045 0.0072 0.0639
Echinococcus multilocularis heat shock protein 90 0.0072 0.0137 0.079
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0027 0.0028 0.0022
Schistosoma mansoni intermediate filament proteins 0.0025 0.0022 0.0198
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0033 0.0042 0.0373
Onchocerca volvulus 0.0033 0.0042 0.0452
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Toxoplasma gondii heat shock protein 90, putative 0.0072 0.0137 0.0994
Schistosoma mansoni heat shock protein 0.0072 0.0137 0.1214
Onchocerca volvulus 0.0224 0.0499 0.5367
Mycobacterium leprae Probable lipase LipE 0.0033 0.0042 0.0014
Trichomonas vaginalis D-aminoacylase, putative 0.0033 0.0042 0.0373
Toxoplasma gondii DNA topoisomerase 2, putative 0.0487 0.1127 0.8193
Trypanosoma cruzi heat shock protein 90, putative 0.0027 0.0028 0.0157
Trypanosoma brucei heat shock protein 90, putative 0.0072 0.0137 0.0732
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.0103 0.0573
Brugia malayi GRF zinc finger family protein 0.0071 0.0134 0.1186
Leishmania major cathepsin L-like protease 0.0058 0.0103 0.0573
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0033 0.0042 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0006 0.0053
Toxoplasma gondii DNA topoisomerase family protein 0.0071 0.0134 0.0972
Trypanosoma cruzi cruzipain precursor, putative 0.0058 0.0103 0.0573
Echinococcus multilocularis muscleblind protein 1 0.018 0.0395 0.2278
Trichomonas vaginalis endoplasmin, putative 0.0059 0.0105 0.0935
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 0.4198 1 1
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Echinococcus multilocularis heat shock protein 90 0.0027 0.0028 0.0163
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0071 0.0134 0.0746
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0045 0.0072 0.0416
Brugia malayi Probable DNA topoisomerase II 0.0487 0.1127 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0096 0.0551
Schistosoma mansoni hypothetical protein 0.0155 0.0333 0.2956
Trypanosoma brucei DNA topoisomerase IA, putative 0.0071 0.0134 0.0715
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.093 0.2186 1
Loa Loa (eye worm) TOPoisomerase family member 0.0487 0.1127 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.093 0.2186 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.0031 0.0274
Loa Loa (eye worm) hypothetical protein 0.0033 0.0042 0.0373
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.0103 0.0573
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0071 0.0134 0.1186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0058 0.0103 0.0541
Echinococcus multilocularis muscleblind protein 0.018 0.0395 0.2278
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 0.4198 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0045 0.0072 0.0639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0096 0.0848
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0404 0.0929 1
Plasmodium falciparum heat shock protein 90 0.0072 0.0137 0.0626
Echinococcus granulosus heat shock protein 90 0.0072 0.0137 0.1214
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Onchocerca volvulus 0.0028 0.0031 0.0333
Mycobacterium tuberculosis Probable hydrolase 0.0033 0.0042 0.0036
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0045 0.0072 0.0066
Leishmania major DNA topoisomerase III, putative 0.0071 0.0134 0.0746
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0071 0.0134 0.1186
Trichomonas vaginalis heat shock protein, putative 0.0059 0.0105 0.0935
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0071 0.0134 0.1186
Echinococcus multilocularis geminin 0.0155 0.0333 0.1923
Brugia malayi DNA topoisomerase III 0.0071 0.0134 0.1186
Mycobacterium tuberculosis Conserved protein 0.0033 0.0042 0.0036
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0045 0.0072 0.0044
Loa Loa (eye worm) hypothetical protein 0.021 0.0464 0.4121
Brugia malayi Pre-SET motif family protein 0.0028 0.0031 0.0274
Brugia malayi DNA topoisomerase III beta-1 0.0071 0.0134 0.1186
Trypanosoma cruzi DNA topoisomerase II, putative 0.0415 0.0957 0.5337
Brugia malayi kinase, mitochondrial precursor 0.0045 0.0072 0.0639
Loa Loa (eye worm) DNA topoisomerase III 0.0071 0.0134 0.1186
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0006 0.0053
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Trichomonas vaginalis esterase, putative 0.0033 0.0042 0.0373
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0045 0.0072 0.0416
Giardia lamblia DNA topoisomerase II 0.0441 0.1018 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0071 0.0134 0.0715
Brugia malayi Endoplasmin precursor 0.0072 0.0137 0.1214
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0027 0.0028 0.025
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0045 0.0072 0.0524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0096 0.0848
Plasmodium vivax endoplasmin, putative 0.0072 0.0137 0.0626
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0045 0.0072 0.0303
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.042
Leishmania major heat shock protein 83-1 0.0072 0.0137 0.0763
Loa Loa (eye worm) hypothetical protein 0.021 0.0464 0.4121
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.041 0.0944 0.4304
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0006 0.0053
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 0.4198 1 1
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0045 0.0072 0.0066
Toxoplasma gondii exonuclease III APE 0.0018 0.0006 0.0043
Loa Loa (eye worm) heat shock protein 90 0.0072 0.0137 0.1214
Toxoplasma gondii ABC1 family protein 0.0033 0.0042 0.0305
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0045 0.0072 0.0524
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0028 0.025
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0006 0.0053
Schistosoma mansoni DNA topoisomerase II 0.0487 0.1127 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0072 0.0137 0.0763
Mycobacterium tuberculosis Probable lipase LipD 0.0033 0.0042 0.0036
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0404 0.0929 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0274
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0045 0.0072 0.0066
Echinococcus multilocularis endoplasmin 0.0027 0.0028 0.0163
Onchocerca volvulus 0.0071 0.0134 0.1439
Onchocerca volvulus 0.0025 0.0022 0.024
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0487 0.1127 1
Trypanosoma brucei hypothetical protein, conserved 0.0033 0.0042 0.0202
Loa Loa (eye worm) hypothetical protein 0.0045 0.0072 0.0639
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0313 0.0713 0.0687
Schistosoma mansoni lamin 0.0025 0.0022 0.0198
Mycobacterium ulcerans DNA gyrase subunit A 0.041 0.0944 0.0939
Echinococcus multilocularis heat shock protein 0.0072 0.0137 0.079
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0045 0.0072 0.0066
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0027 0.0028 0.0102
Mycobacterium tuberculosis Conserved protein 0.0045 0.0072 0.0066
Trypanosoma cruzi heat shock protein 85, putative 0.0072 0.0137 0.0763
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0045 0.0072 0.0303
Giardia lamblia Grp94/Hsp90 0.0027 0.0028 0.022
Echinococcus multilocularis rho GTPase activating protein 20 0.0071 0.0134 0.0772
Loa Loa (eye worm) hypothetical protein 0.0241 0.054 0.4788
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0045 0.0072 0.0066
Leishmania major cathepsin L-like protease 0.0058 0.0103 0.0573
Plasmodium vivax DNA gyrase subunit B, putative 0.093 0.2186 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0169 0.0369 0.0341
Mycobacterium leprae conserved hypothetical protein 0.0033 0.0042 0.0014
Loa Loa (eye worm) glutaminase 0.0249 0.056 0.4967
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbC 0.4198 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0651 0.1521 0.6851
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0028 0.025
Mycobacterium ulcerans two component regulator - sensor kinase 0.0045 0.0072 0.0066
Plasmodium vivax DNA topoisomerase 3, putative 0.0071 0.0134 0.0612
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0404 0.0929 1
Mycobacterium tuberculosis Conserved protein 0.0033 0.0042 0.0036
Leishmania major DNA topoisomerase III, putative 0.0071 0.0134 0.0746
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0006 0.0033
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0071 0.0134 0.1186
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0045 0.0072 0.0066
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0006 0.0033
Trypanosoma brucei heat shock protein, putative 0.0072 0.0137 0.0732
Mycobacterium ulcerans DNA gyrase subunit B 0.093 0.2186 0.2181
Leishmania major cathepsin L-like protease 0.0058 0.0103 0.0573
Giardia lamblia DNA topoisomerase III 0.0071 0.0134 0.1262
Mycobacterium tuberculosis Possible two component sensor kinase 0.0045 0.0072 0.0066
Mycobacterium ulcerans DNA topoisomerase I 0.0071 0.0134 0.0128
Onchocerca volvulus 0.0033 0.0042 0.0452
Schistosoma mansoni endoplasmin 0.0072 0.0137 0.1214

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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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