Detailed information for compound 1202399

Basic information

Technical information
  • TDR Targets ID: 1202399
  • Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-5,7-dime thyl-2-(5-methylfuran-2-yl)imidazo[3,2-a]pyri midin-3-amine
  • MW: 376.409 | Formula: C21H20N4O3
  • H donors: 1 H acceptors: 2 LogP: 4.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)c1nc2n(c1Nc1ccc3c(c1)OCCO3)c(C)cc(n2)C
  • InChi: 1S/C21H20N4O3/c1-12-10-13(2)25-20(19(24-21(25)22-12)17-6-4-14(3)28-17)23-15-5-7-16-18(11-15)27-9-8-26-16/h4-7,10-11,23H,8-9H2,1-3H3
  • InChiKey: PEVNLTIIBDRACB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-5,7-dimethyl-2-(5-methyl-2-furyl)imidazo[3,2-a]pyrimidin-3-amine
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-5,7-dimethyl-2-(5-methyl-2-furyl)-3-imidazo[3,2-a]pyrimidinamine
  • 2,3-dihydro-1,4-benzodioxin-7-yl-[5,7-dimethyl-2-(5-methyl-2-furyl)imidazo[3,2-a]pyrimidin-3-yl]amine
  • MLS000522451
  • SMR000127718
  • ZINC04734056
  • STK228530

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0247 0.2457 0.6765
Brugia malayi MH2 domain containing protein 0.0018 0.0101 0.0279
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0303 0.8529
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0538 0.0607
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.001 0.0022 0.0025
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0273 0.2728 0.751
Schistosoma mansoni pyruvate kinase 0.0021 0.0131 0.0148
Loa Loa (eye worm) hypothetical protein 0.0031 0.0241 0.0663
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0333 0.1443
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0541 0.0611
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0026 0.0186 0.1748
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.001 0.0022 0.0022
Echinococcus granulosus cpg binding protein 0.003 0.0223 0.0252
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0303 0.0834
Loa Loa (eye worm) latrophilin receptor protein 2 0.0114 0.1093 0.301
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0224 0.0224
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0017 0.0047
Onchocerca volvulus 0.001 0.0022 0.0096
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0224 0.0253
Leishmania major pyruvate kinase 0.004 0.0333 0.4633
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Loa Loa (eye worm) nuclear factor I 0.001 0.0019 0.0054
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.2345 0.2645
Schistosoma mansoni GTP-binding protein alpha subunit 0.001 0.0022 0.0025
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.001 0.0022 0.0025
Brugia malayi RNA, U transporter 1 0.0089 0.0836 0.23
Loa Loa (eye worm) hypothetical protein 0.0054 0.0471 0.1298
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.001 0.0022 0.0025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0236 0.2345 0.6455
Brugia malayi hypothetical protein 0.0122 0.1169 0.3219
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0155 0.1218
Schistosoma mansoni hypothetical protein 0.0869 0.8865 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0101 0.0101
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0538 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.1093 0.301
Schistosoma mansoni smad 0.0018 0.0101 0.0114
Brugia malayi Importin beta-1 subunit 0.0031 0.0241 0.0663
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0155 0.0428
Brugia malayi CXXC zinc finger family protein 0.0028 0.0207 0.0569
Schistosoma mansoni hypothetical protein 0.0114 0.1093 0.1233
Loa Loa (eye worm) hypothetical protein 0.0361 0.3632 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0224 0.0253
Echinococcus granulosus guanine nucleotide binding protein subunit 0.001 0.0022 0.0025
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3333 0.376
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0155 0.1218
Onchocerca volvulus 0.0232 0.2305 1
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.001 0.0022 0.0025
Chlamydia trachomatis pyruvate kinase 0.004 0.0333 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.2345 0.2345
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0023 0.016 0.016
Toxoplasma gondii exonuclease III APE 0.0037 0.0303 0.4228
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0101 0.0101
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0471 0.0532
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0207 0.0234
Brugia malayi RNA binding protein 0.0332 0.3333 0.9177
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0303 0.3857
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0155 0.0155
Echinococcus multilocularis cpg binding protein 0.003 0.0223 0.0223
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0538 0.0607
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.001 0.0022 0.0061
Schistosoma mansoni GTP-binding protein alpha subunit 0.001 0.0022 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1861 0.6796
Loa Loa (eye worm) TAR-binding protein 0.0332 0.3333 0.9177
Brugia malayi Calcitonin receptor-like protein seb-1 0.0361 0.3632 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0155 0.1218
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2345 0.2645
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0303 0.8529
Plasmodium vivax SET domain protein, putative 0.003 0.0224 0.4632
Loa Loa (eye worm) histone methyltransferase 0.001 0.0018 0.0051
Brugia malayi pyruvate kinase 0.0008 0.0005 0.0015
Echinococcus granulosus pyruvate kinase 0.004 0.0333 0.0375
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0026 0.0186 0.081
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0061
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0303 0.8529
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0303 0.0342
Brugia malayi G-protein alpha subunit 0.001 0.0022 0.0061
Loa Loa (eye worm) Smad1 0.0018 0.0101 0.0279
Brugia malayi MH2 domain containing protein 0.0018 0.0101 0.0279
Loa Loa (eye worm) pyruvate kinase 0.004 0.0333 0.0916
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.018 0.0582
Echinococcus multilocularis geminin 0.0869 0.8865 0.8865
Onchocerca volvulus 0.001 0.0022 0.0096
Loa Loa (eye worm) RNA binding protein 0.0332 0.3333 0.9177
Brugia malayi MH1 domain containing protein 0.0018 0.0101 0.0279
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0333 0.1148
Echinococcus multilocularis pyruvate kinase 0.004 0.0333 0.0333
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0303 0.0303
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Brugia malayi hypothetical protein 0.001 0.0022 0.0061
Echinococcus granulosus tar DNA binding protein 0.0332 0.3333 0.376
Echinococcus granulosus lysosomal protective protein 0.0026 0.0186 0.021
Schistosoma mansoni smad1 5 8 and 0.0018 0.0101 0.0114
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0023 0.016 0.018
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.001 0.0022 0.0061
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0333 0.1148
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.001 0.0022 0.0061
Onchocerca volvulus 0.003 0.0224 0.0973
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0018 0.0018
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0303 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0114 0.1093 0.1233
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Echinococcus multilocularis pyruvate kinase 0.0021 0.0131 0.0131
Echinococcus granulosus guanine nucleotide binding protein G protein 0.001 0.0022 0.0025
Schistosoma mansoni cpg binding protein 0.0028 0.0207 0.0233
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.001 0.0022 0.0022
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0207 0.0569
Echinococcus multilocularis tar DNA binding protein 0.0332 0.3333 0.3333
Giardia lamblia Pyruvate kinase 0.004 0.0333 1
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0224 0.0224
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0026 0.0186 0.1748
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0207 0.0571
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0022 0.0061
Loa Loa (eye worm) hypothetical protein 0.003 0.0224 0.0618
Loa Loa (eye worm) hypothetical protein 0.0028 0.0207 0.0571
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0538 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.1169 0.5071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0224 0.0253
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0224 0.0253
Schistosoma mansoni cpg binding protein 0.003 0.0223 0.0252
Leishmania major pyruvate kinase 0.004 0.0333 0.4633
Echinococcus granulosus geminin 0.0869 0.8865 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0262 0.2611 0.7188
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0333 1
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Schistosoma mansoni ran 0.0023 0.0155 0.0175
Echinococcus multilocularis pyruvate kinase 0.004 0.0333 0.0333
Schistosoma mansoni smad1 5 8 and 0.0018 0.0101 0.0114
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0114 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0061
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0054
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0333 1
Onchocerca volvulus Glucosylceramidase homolog 0.0179 0.1761 0.764
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.001 0.0022 0.0022
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0114 0.1093 0.1093
Brugia malayi Latrophilin receptor protein 2 0.0114 0.1093 0.301
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.001 0.0022 0.0022
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0333 0.0916
Plasmodium vivax pyruvate kinase, putative 0.004 0.0333 1
Onchocerca volvulus 0.0054 0.0471 0.2045
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0538 1
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0333 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.001 0.0022 0.0061
Brugia malayi Pre-SET motif family protein 0.003 0.0224 0.0618
Schistosoma mansoni ap endonuclease 0.0037 0.0303 0.0342
Echinococcus multilocularis expressed protein 0.001 0.0022 0.0022
Echinococcus multilocularis pyruvate kinase 0.0021 0.0131 0.0131
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3333 0.376
Echinococcus granulosus importin subunit beta 1 0.0031 0.0241 0.0271
Schistosoma mansoni importin beta-1 0.0031 0.0241 0.0271
Schistosoma mansoni hypothetical protein 0.0114 0.1093 0.1233
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0026 0.0186 0.1748
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.2728 1
Schistosoma mansoni hypothetical protein 0.0335 0.3362 0.3793
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0001 0.0001
Echinococcus granulosus snurportin 1 0.0335 0.3362 0.3793
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0026 0.0186 0.0513
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0001 0.0001
Echinococcus granulosus tumor protein p63 0.0367 0.3699 0.4172
Echinococcus granulosus GPCR family 2 0.0114 0.1093 0.1233
Echinococcus multilocularis pyruvate kinase 0.0021 0.0131 0.0131
Echinococcus multilocularis lysosomal protective protein 0.0026 0.0186 0.0186
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0303 0.0834
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2305 0.844
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.018 0.0582
Plasmodium falciparum pyruvate kinase 0.004 0.0333 1
Echinococcus multilocularis GPCR, family 2 0.0114 0.1093 0.1093
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.001 0.0022 0.0061
Brugia malayi Pre-SET motif family protein 0.0204 0.2016 0.5552
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0224 0.0253
Schistosoma mansoni pyruvate kinase 0.004 0.0333 0.0375
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0155 0.0175
Echinococcus granulosus pyruvate kinase 0.004 0.0333 0.0375
Schistosoma mansoni ap endonuclease 0.0037 0.0303 0.0342
Trichomonas vaginalis ran, putative 0.0023 0.0155 0.0492
Trypanosoma brucei pyruvate kinase 1 0.004 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0333 0.0916
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.0043 0.012
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.001 0.0022 0.0061
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0538 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0538 0.0607
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0361 0.3632 1
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0241 0.2696
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0241 0.0241
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.018 0.1363
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0001 0.0001
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0207 0.6589
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0054
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.001 0.0022 0.0061
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0303 0.1038
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0026 0.0186 0.1748
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0022 0.0025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0476 0.8474
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0114 0.1093 0.1233
Echinococcus granulosus pyruvate kinase 0.0021 0.0131 0.0148
Loa Loa (eye worm) hypothetical protein 0.0122 0.1169 0.3219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2345 0.2645
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0101 0.0279
Brugia malayi MH1 domain containing protein 0.0018 0.0101 0.0279
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0022 0.0025
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.001 0.0022 0.0025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0361 0.3632 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0236 0.2345 0.6455
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0332 0.3333 0.9177
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0061
Schistosoma mansoni pyruvate kinase 0.004 0.0333 0.0375
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0333 0.1263
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0026 0.0186 0.1748
Echinococcus multilocularis snurportin 1 0.0335 0.3362 0.3362
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0303 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0262 0.2611 0.7188
Schistosoma mansoni hypothetical protein 0.0114 0.1093 0.1233
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.001 0.0022 0.0025
Echinococcus granulosus guanine nucleotide binding protein G protein 0.001 0.0022 0.0025
Echinococcus multilocularis Smad4 0.0018 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3333 0.376
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.001 0.0022 0.0025
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0241 0.4805
Onchocerca volvulus 0.001 0.0022 0.0096
Echinococcus granulosus Smad4 0.0018 0.0101 0.0114
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0155 0.0604
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0236 0.2345 0.2645
Onchocerca volvulus Huntingtin homolog 0.0122 0.1169 0.5071
Loa Loa (eye worm) hypothetical protein 0.0026 0.0186 0.0513
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0303 0.8325
Trichomonas vaginalis importin beta-1, putative 0.0025 0.018 0.0582
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0101 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3333 0.376
Echinococcus granulosus expressed protein 0.001 0.0022 0.0025
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0114 0.1093 0.301
Echinococcus granulosus pyruvate kinase 0.0021 0.0131 0.0148
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Schistosoma mansoni hypothetical protein 0.0869 0.8865 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0538 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.018 0.0631
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0236 0.2345 0.2645
Echinococcus multilocularis smad 0.0018 0.0101 0.0101
Mycobacterium ulcerans pyruvate kinase 0.004 0.0333 0.1263
Loa Loa (eye worm) pyruvate kinase 0.004 0.0333 0.0916
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0333 0.4957
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.001 0.0022 0.0061
Brugia malayi Smad1 0.0018 0.0101 0.0279
Brugia malayi MH2 domain containing protein 0.0262 0.2611 0.7188
Echinococcus granulosus pyruvate kinase 0.0021 0.0131 0.0148
Plasmodium falciparum importin beta, putative 0.0031 0.0241 0.5438
Loa Loa (eye worm) hypothetical protein 0.0247 0.2457 0.6765
Onchocerca volvulus 0.0028 0.0207 0.0897
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.001 0.0022 0.0025
Loa Loa (eye worm) pyruvate kinase 0.0008 0.0005 0.0015
Echinococcus granulosus smad 0.0018 0.0101 0.0114
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0026 0.0186 0.0809
Loa Loa (eye worm) pyruvate kinase 0.004 0.0333 0.0916
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0303 0.1038
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0303 0.8325
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0303 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0101 0.0114
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0155 0.0428
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Brugia malayi pyruvate kinase, muscle isozyme 0.0008 0.0005 0.0015
Schistosoma mansoni hypothetical protein 0.0114 0.1093 0.1233
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0538 0.0538
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0333 0.1443
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0101 0.0114
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0022 0.0061
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0018 0.0021
Schistosoma mansoni hypothetical protein 0.0247 0.2457 0.2771
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.001 0.0022 0.0061
Brugia malayi TAR-binding protein 0.0332 0.3333 0.9177
Schistosoma mansoni cpg binding protein 0.003 0.0223 0.0252
Loa Loa (eye worm) G protein alpha subunit 3 0.001 0.0022 0.0061
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0333 0.1443
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1861 0.6796
Plasmodium vivax importin-beta 2, putative 0.0031 0.0241 0.5438
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.001 0.0022 0.0061
Schistosoma mansoni smad1 5 8 and 0.0018 0.0101 0.0114
Loa Loa (eye worm) hypothetical protein 0.0122 0.1169 0.3219
Brugia malayi RNA recognition motif domain containing protein 0.0332 0.3333 0.9177
Echinococcus multilocularis tumor protein p63 0.0367 0.3699 0.3699
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0236 0.2345 0.2345
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0335 0.3362 0.9258
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0241 0.4805
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0026 0.0186 0.021
Entamoeba histolytica hypothetical protein 0.0025 0.018 0.5605
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.0061
Schistosoma mansoni ran 0.0023 0.0155 0.0175
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1761 0.6429
Echinococcus granulosus guanine nucleotide binding protein subunit 0.001 0.0022 0.0025
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0333 0.0916
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0303 0.8325
Schistosoma mansoni trimeric G-protein alpha o subunit 0.001 0.0022 0.0025
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0224 0.2296
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.001 0.0022 0.0025
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.001 0.0022 0.0022
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0026 0.0186 0.021
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0026 0.0186 0.1748
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0273 0.2728 0.751
Schistosoma mansoni tar DNA-binding protein 0.0332 0.3333 0.376
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0026 0.0186 0.1748
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0333 0.5
Schistosoma mansoni Smad4 0.0018 0.0101 0.0114
Echinococcus multilocularis pyruvate kinase 0.0032 0.0245 0.0245
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.001 0.0022 0.0061
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0101 0.0279
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0538 1
Entamoeba histolytica Ran family GTPase 0.0023 0.0155 0.4744
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2016 0.5552

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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