Detailed information for compound 1648426

Basic information

Technical information
  • TDR Targets ID: 1648426
  • Name: N-methyl-2-(4-methylidene-3-oxa-1-azaspiro[4. 5]dec-1-en-2-yl)aniline
  • MW: 256.343 | Formula: C16H20N2O
  • H donors: 1 H acceptors: 0 LogP: 3.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1ccccc1C1=NC2(C(=C)O1)CCCCC2
  • InChi: 1S/C16H20N2O/c1-12-16(10-6-3-7-11-16)18-15(19-12)13-8-4-5-9-14(13)17-2/h4-5,8-9,17H,1,3,6-7,10-11H2,2H3
  • InChiKey: HYFDNBRHYSSQGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline
  • methyl-[2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)phenyl]amine
  • N-Methyl-N-(2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)phenyl)amine
  • NSC658991
  • NCI60_020781
  • AIDS-142114
  • AIDS142114

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
Trichomonas vaginalis bromodomain-containing protein, putative 0.0034 0.0035 0.0503
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Entamoeba histolytica serine/threonine protein kinase, putative 0.0076 0.0088 0.1209
Echinococcus multilocularis 0.0107 0.0126 0.0126
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.0123 0.0123
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0107 0.0126 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0107 0.0126 0.181
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0014 0.001 0.001
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0014 0.001 0.0013
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0107 0.0126 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0023 0.0331
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0349 0.043 0.6187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0107 0.0126 0.1713
Brugia malayi serine/threonine-protein kinase plk-2 0.0076 0.0088 0.1252
Entamoeba histolytica hypothetical protein 0.0107 0.0126 0.177
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0107 0.0126 0.1823
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0107 0.0126 0.177
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0028 0.0027 0.0322
Schistosoma mansoni tar DNA-binding protein 0.0051 0.0056 0.0815
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0107 0.0126 0.0347
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0019 0.0016 0.003
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0107 0.0126 0.1713
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0555 0.0689 1
Schistosoma mansoni cpg binding protein 0.0022 0.002 0.0288
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.0347
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0313 0.0385 0.5557
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0019 0.0016 0.114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0107 0.0126 0.1713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0107 0.0126 0.181
Schistosoma mansoni alpha glucosidase 0.0028 0.0027 0.0392
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0349 0.043 0.6213
Echinococcus multilocularis Niemann Pick C1 protein 0.0073 0.0083 0.0083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0038 0.0533
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0107 0.0126 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Giardia lamblia Fructose-bisphosphate aldolase 0.0235 0.0287 0.4078
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0107 0.0126 0.1713
Echinococcus granulosus dnaJ subfamily B 0.0316 0.0389 0.0389
Echinococcus granulosus neutral alpha glucosidase AB 0.0028 0.0027 0.0027
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0027 0.0384
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0107 0.0126 0.0126
Trypanosoma cruzi target of rapamycin kinase 3 0.0555 0.0689 0.1962
Plasmodium vivax SET domain protein, putative 0.0025 0.0023 0.1127
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0034 0.0035 0.0375
Loa Loa (eye worm) hypothetical protein 0.0313 0.0385 0.5578
Echinococcus multilocularis protein dispatched 1 0.0036 0.0037 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0126 0.1823
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0555 0.0689 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0038 0.0038
Echinococcus multilocularis expressed protein 0.0007 0.0001 0.0001
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0107 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0107 0.0126 0.181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0038 0.0534
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0555 0.0689 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Schistosoma mansoni apoferritin-2 0.0007 0.0001 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Trichomonas vaginalis set domain proteins, putative 0.0192 0.0233 0.337
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0107 0.0126 0.1713
Brugia malayi Pre-SET motif family protein 0.0168 0.0204 0.2937
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0107 0.0126 0.177
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0019 0.0016 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0313 0.0385 0.0385
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0235 0.0287 0.4119
Echinococcus multilocularis protein patched 0.0031 0.0031 0.0031
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0028 0.0027 0.0322
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0115 0.0136 1
Leishmania major hypothetical protein, unknown function 0.0107 0.0126 0.0334
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.177
Echinococcus granulosus Niemann Pick C1 protein 0.0073 0.0083 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0051 0.0056 0.0815
Onchocerca volvulus 0.0107 0.0126 0.5319
Schistosoma mansoni hypothetical protein 0.003 0.003 0.0433
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0019 0.0016 0.114
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0025 0.0023 0.0193
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0107 0.0126 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0206 0.0251 0.3638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0014 0.001 0.001
Echinococcus multilocularis dnaJ subfamily B 0.0316 0.0389 0.0389
Onchocerca volvulus 0.0025 0.0023 0.0782
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0005 0.0065
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0313 0.0385 0.5557
Echinococcus granulosus Protein patched homolog 1 0.0031 0.0031 0.0031
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0107 0.0126 0.1823
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0038 0.0556
Brugia malayi MH2 domain containing protein 0.0089 0.0104 0.1488
Leishmania major hypothetical protein, conserved 0.0166 0.0201 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0107 0.0126 0.183
Loa Loa (eye worm) phosphatidylinositol 3 0.0555 0.0689 1
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Trypanosoma cruzi hypothetical protein, conserved 0.2787 0.3492 1
Brugia malayi exodeoxyribonuclease III family protein 0.0014 0.001 0.0118
Trypanosoma brucei glucosidase, putative 0.0028 0.0027 0.0322
Loa Loa (eye worm) transcription factor SMAD2 0.0089 0.0104 0.1487
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0005 0.0065
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0005 0.0065
Onchocerca volvulus 0.0022 0.002 0.065
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0019 0.0016 0.114
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0107 0.0126 0.0126
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0107 0.0126 0.1811
Giardia lamblia Phosphatidylinositol 4-kinase 0.0107 0.0126 0.1713
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0107 0.0126 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0107 0.0126 0.181
Leishmania major phosphatidylinositol kinase related protein, putative 0.0107 0.0126 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0046 0.0049 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trypanosoma brucei polo-like protein kinase 0.0076 0.0088 0.1209
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0031 0.0445
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Toxoplasma gondii FATC domain-containing protein 0.0313 0.0385 0.5526
Trichomonas vaginalis sucrase-isomaltase, putative 0.0028 0.0027 0.0384
Schistosoma mansoni ferritin 0.0007 0.0001 0.0008
Echinococcus granulosus histone acetyltransferase KAT2B 0.0114 0.0135 0.0135
Echinococcus multilocularis lysosomal alpha glucosidase 0.0126 0.015 0.015
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0555 0.0689 0.1962
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0555 0.0689 0.1889
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0076 0.0088 0.0088
Schistosoma mansoni fkbp-rapamycin associated protein 0.0313 0.0385 0.5589
Echinococcus granulosus expressed conserved protein 0.0068 0.0078 0.0078
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.0347
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0555 0.0689 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0126 0.015 0.015
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0025 0.0023 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Schistosoma mansoni ferritin 0.0007 0.0001 0.0008
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0555 0.0689 0.0689
Schistosoma mansoni alpha-glucosidase 0.0108 0.0128 0.1857
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0555 0.0689 0.0689
Schistosoma mansoni ap endonuclease 0.0014 0.001 0.0141
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0107 0.0126 0.0334
Loa Loa (eye worm) MH2 domain-containing protein 0.0089 0.0104 0.1487
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0206 0.0251 0.0706
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0074 0.0085 0.1232
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0107 0.0126 0.183
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0107 0.0126 0.0126
Echinococcus granulosus ferritin 0.0007 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0038 0.004 0.0558
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0107 0.0126 0.1823
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0076 0.0088 0.0088
Trichomonas vaginalis maltase-glucoamylase, putative 0.0028 0.0027 0.0384
Toxoplasma gondii target of rapamycin (TOR), putative 0.0555 0.0689 1
Schistosoma mansoni hypothetical protein 0.003 0.003 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.1823
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0313 0.0385 0.5589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Entamoeba histolytica hypothetical protein 0.0107 0.0126 0.177
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Schistosoma mansoni hypothetical protein 0.0107 0.0126 0.183
Schistosoma mansoni alpha-glucosidase 0.0108 0.0128 0.1857
Treponema pallidum fructose-bisphosphate aldolase 0.0235 0.0287 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0107 0.0126 0.177
Schistosoma mansoni hypothetical protein 0.0405 0.0501 0.7267
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0107 0.0126 0.1823
Giardia lamblia GTOR 0.0555 0.0689 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0076 0.0088 0.1251
Onchocerca volvulus 0.0192 0.0233 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0107 0.0126 0.183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0014 0.001 0.0676
Onchocerca volvulus Serine\/threonine kinase homolog 0.0076 0.0088 0.3632
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0555 0.0689 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.0251 0.3627
Schistosoma mansoni kinase 0.0039 0.0041 0.0589
Schistosoma mansoni cpg binding protein 0.0023 0.0021 0.0311
Schistosoma mansoni ferritin 0.0007 0.0001 0.0008
Trypanosoma cruzi polo-like protein kinase, putative 0.0076 0.0088 0.0237
Trichomonas vaginalis maltase-glucoamylase, putative 0.001 0.0005 0.0065
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0107 0.0126 0.0347
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0107 0.0126 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.7968 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0038 0.0039 0.0563
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0107 0.0126 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0028 0.0027 0.037
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0555 0.0689 0.1889
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.0201 0.0561
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0023 0.0331
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0014 0.001 0.0013
Echinococcus granulosus expressed protein 0.0007 0.0001 0.0001
Brugia malayi Glycosyl hydrolases family 31 protein 0.0126 0.015 0.2158
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0555 0.0689 0.0689
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0242 0.0296 0.0296
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0028 0.0027 0.0384
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0107 0.0126 0.1823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0027 0.0063
Schistosoma mansoni ferritin 0.0007 0.0001 0.0008
Echinococcus granulosus histone acetyltransferase KAT2B 0.0034 0.0035 0.0035
Leishmania major phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.0334
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0107 0.0126 0.0126
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0014 0.001 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0107 0.0126 0.1713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Schistosoma mansoni cpg binding protein 0.0023 0.0021 0.0311
Echinococcus multilocularis sterol regulatory element binding protein 0.0031 0.0031 0.0031
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0034 0.0035 0.2187
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0117 0.0139 0.2015
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0555 0.0689 0.1889
Giardia lamblia Hypothetical protein 0.0107 0.0126 0.1713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0038 0.0556
Echinococcus granulosus serine protein kinase ATM 0.0313 0.0385 0.0385
Loa Loa (eye worm) phosphatidylinositol 3 0.0555 0.0689 1
Loa Loa (eye worm) acetyltransferase 0.0117 0.0139 0.1995
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0014 0.001 0.0013
Brugia malayi Glycosyl hydrolases family 31 protein 0.001 0.0005 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0027 0.0384
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.177
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0555 0.0689 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0107 0.0126 0.0347
Trypanosoma cruzi polo-like protein kinase, putative 0.0076 0.0088 0.0237
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.001 0.0005 0.0065
Giardia lamblia Kinase, PLK 0.0076 0.0088 0.1148
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0028 0.0027 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Schistosoma mansoni ferritin light chain 0.0007 0.0001 0.0008
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0025 0.0023 0.0331
Leishmania major alpha glucosidase II subunit, putative 0.0028 0.0027 0.0061
Loa Loa (eye worm) phosphatidylinositol 3 0.0107 0.0126 0.181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0034 0.0035 0.0375
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0038 0.0038
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0019 0.0016 0.0031
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0107 0.0126 0.181
Trypanosoma brucei hypothetical protein, conserved 0.0166 0.0201 0.2859
Onchocerca volvulus 0.0107 0.0126 0.5319
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0027 0.0384
Trichomonas vaginalis conserved hypothetical protein 0.0206 0.0251 0.3638
Echinococcus granulosus tar DNA binding protein 0.0051 0.0056 0.0056
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0555 0.0689 0.1962
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0405 0.0501 0.7267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0107 0.0126 0.0347
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0107 0.0126 0.0126
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.001 0.0133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi TAR-binding protein 0.0051 0.0056 0.0794
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0107 0.0126 0.1823
Loa Loa (eye worm) hypothetical protein 0.0242 0.0296 0.428
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0014 0.001 0.0676
Onchocerca volvulus 0.0073 0.0083 0.3441
Schistosoma mansoni hypothetical protein 0.003 0.003 0.0433
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0025 0.0023 0.0023
Mycobacterium ulcerans hypothetical protein 0.0019 0.0016 0.114
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0014 0.001 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0051 0.0056 0.0792
Schistosoma mansoni ferritin light chain 0.0007 0.0001 0.0008
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0107 0.0126 0.177
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0107 0.0126 0.0347
Plasmodium vivax hypothetical protein 0.0107 0.0126 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0027 0.0384
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0107 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0073 0.0083 0.1189
Giardia lamblia Histone acetyltransferase GCN5 0.0032 0.0032 0.0322
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0107 0.0126 0.0347
Echinococcus granulosus sterol regulatory element binding protein 0.0031 0.0031 0.0031
Schistosoma mansoni patched 1 0.0031 0.0031 0.0453
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0048
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0242 0.0296 0.0296
Loa Loa (eye worm) phosphatidylinositol 3 0.0107 0.0126 0.181
Echinococcus granulosus geminin 0.0405 0.0501 0.0501
Schistosoma mansoni tar DNA-binding protein 0.0051 0.0056 0.0815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi acetyltransferase, GNAT family protein 0.0117 0.0139 0.1997
Schistosoma mansoni hypothetical protein 0.003 0.003 0.0433
Trichomonas vaginalis CAMK family protein kinase 0.0038 0.0039 0.0563
Brugia malayi CXXC zinc finger family protein 0.0022 0.002 0.0265
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0048 0.0052 0.0757
Leishmania major phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.0334
Entamoeba histolytica hypothetical protein 0.0107 0.0126 0.177
Loa Loa (eye worm) hypothetical protein 0.0031 0.0031 0.043
Schistosoma mansoni apoferritin-2 0.0007 0.0001 0.0008
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.001 0.0005 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0126 0.1823
Echinococcus multilocularis geminin 0.0405 0.0501 0.0501
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0107 0.0126 0.0126
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0076 0.0088 0.0228
Echinococcus granulosus lysosomal alpha glucosidase 0.0126 0.015 0.015
Mycobacterium ulcerans hypothetical protein 0.0019 0.0016 0.114
Brugia malayi Niemann-Pick C1 protein precursor 0.0073 0.0083 0.1191
Leishmania major hypothetical protein, conserved 0.2893 0.3626 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0107 0.0126 0.1823
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0031 0.0031 0.043
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0002
Mycobacterium tuberculosis Conserved protein 0.0019 0.0016 0.114
Echinococcus multilocularis expressed conserved protein 0.0068 0.0078 0.0078
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0313 0.0385 0.5579
Brugia malayi RNA recognition motif domain containing protein 0.0051 0.0056 0.0794
Brugia malayi Pre-SET motif family protein 0.0025 0.0023 0.0309
Echinococcus granulosus histone lysine methyltransferase setb 0.0025 0.0023 0.0023
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0051 0.0056 0.0815
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0117 0.0139 0.0139
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.001 0.0133
Loa Loa (eye worm) TAR-binding protein 0.0051 0.0056 0.0792
Echinococcus granulosus cpg binding protein 0.0023 0.0021 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.043 0.6238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0005 0.0065
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0107 0.0126 0.0126
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0073 0.0083 0.1147
Brugia malayi CHE-14 protein 0.0031 0.0031 0.0431
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0107 0.0126 0.183
Brugia malayi FAT domain containing protein 0.0242 0.0296 0.4281
Trichomonas vaginalis conserved hypothetical protein 0.0349 0.043 0.6238
Entamoeba histolytica protein kinase rad3, putative 0.0313 0.0385 0.5557
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Brugia malayi RNA binding protein 0.0051 0.0056 0.0794
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Schistosoma mansoni ap endonuclease 0.0014 0.001 0.0141
Schistosoma mansoni hypothetical protein 0.0316 0.0389 0.5639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0038 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.0296 0.429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0555 0.0689 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0028 0.0027 0.0027
Trypanosoma cruzi hypothetical protein, conserved 0.0028 0.0027 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0107 0.0126 0.1823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Echinococcus multilocularis cpg binding protein 0.0023 0.0021 0.0021
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0313 0.0385 0.0385
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0107 0.0126 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0555 0.0689 0.1962
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0115 0.0136 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0014 0.001 0.0069
Leishmania major phosphatidylinositol 3-kinase, putative 0.0555 0.0689 0.1889
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0115 0.0136 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0014 0.001 0.032
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0555 0.0689 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0107 0.0126 0.0126
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0107 0.0126 0.177
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0028 0.0027 0.0384
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0107 0.0126 0.0126
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0107 0.0126 0.1823
Trichomonas vaginalis alpha-glucosidase, putative 0.001 0.0005 0.0065
Loa Loa (eye worm) phosphatidylinositol 3 0.0107 0.0126 0.181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Entamoeba histolytica hypothetical protein 0.0107 0.0126 0.177
Entamoeba histolytica acetyltransferase, GNAT family 0.0032 0.0032 0.0388
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0126 0.015 0.2157
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0107 0.0126 0.1823
Mycobacterium tuberculosis Conserved hypothetical protein 0.0107 0.0126 0.9269
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0555 0.0689 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Schistosoma mansoni hypothetical protein 0.0242 0.0296 0.4294
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0107 0.0126 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0022 0.002 0.0264
Echinococcus multilocularis serine protein kinase ATM 0.0313 0.0385 0.0385
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0313 0.0385 0.109
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0107 0.0126 0.1823
Echinococcus granulosus citrate lyase subunit beta protein 0.0019 0.0016 0.0016
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0028 0.0027 0.0368
Echinococcus multilocularis tar DNA binding protein 0.0051 0.0056 0.0056
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0021 0.0021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0107 0.0126 0.1823
Echinococcus multilocularis ferritin 0.0007 0.0001 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.0201 0.0561
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0107 0.0126 0.1823
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0235 0.0287 0.4157
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.0088 0.1273
Leishmania major phosphatidylinositol kinase, putative 0.0107 0.0126 0.0334
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0107 0.0126 0.1713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0235 0.0287 0.4119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0027 0.0384
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0126 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0107 0.0126 0.0347
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0038 0.0556
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0555 0.0689 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0555 0.0689 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0023 0.0307
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0555 0.0689 0.1962
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0126 0.9269
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0313 0.0385 0.5579
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0107 0.0126 0.183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0555 0.0689 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0032 0.0032 0.1877
Entamoeba histolytica hypothetical protein 0.0313 0.0385 0.5557
Loa Loa (eye worm) RNA binding protein 0.0051 0.0056 0.0792
Loa Loa (eye worm) hypothetical protein 0.0107 0.0126 0.181
Echinococcus multilocularis citrate lyase subunit beta protein 0.0019 0.0016 0.0016
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0313 0.0385 0.109
Schistosoma mansoni tar DNA-binding protein 0.0051 0.0056 0.0815
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0019 0.0016 0.114
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0107 0.0126 0.183
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0107 0.0126 0.183
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0168 0.0204 0.2936
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0126 0.1811
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0107 0.0126 0.177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0025 0.0023 0.0331
Trichomonas vaginalis CAMK family protein kinase 0.0076 0.0088 0.1265
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0034 0.0035 0.0503
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0019 0.0016 0.0224
Loa Loa (eye worm) hypothetical protein 0.0349 0.043 0.6232
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0107 0.0126 0.0347
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0014 0.001 0.0117
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0555 0.0689 0.0689
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0555 0.0689 0.1889
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.0123 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0313 0.0385 0.5585

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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