Detailed information for compound 60428

Basic information

Technical information
  • TDR Targets ID: 60428
  • Name: N-[4-(acridin-9-ylamino)-3,5-dimethoxyphenyl] methanesulfonamide
  • MW: 423.485 | Formula: C22H21N3O4S
  • H donors: 2 H acceptors: 3 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1Nc1c2ccccc2nc2c1cccc2)OC)NS(=O)(=O)C
  • InChi: 1S/C22H21N3O4S/c1-28-19-12-14(25-30(3,26)27)13-20(29-2)22(19)24-21-15-8-4-6-10-17(15)23-18-11-7-5-9-16(18)21/h4-13,25H,1-3H3,(H,23,24)
  • InChiKey: DXABLRGASDXUSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(acridin-9-ylamino)-3,5-dimethoxy-phenyl]methanesulfonamide
  • N-[4-(9-acridinylamino)-3,5-dimethoxyphenyl]methanesulfonamide
  • 86955-71-7

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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.071 0.2298
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Plasmodium falciparum LCCL domain-containing protein 0.002 0.013 0.0867
Echinococcus granulosus neutral amino acid transporter A 0.0131 0.3946 0.3946
Echinococcus granulosus excitatory amino acid transporter 2 0.0131 0.3946 0.3946
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0115 0.0116
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.1081 0.1081
Echinococcus granulosus sodium channel protein 0.0037 0.0698 0.0698
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.073 0.073
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.013 0.0738
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0366 0.0481
Loa Loa (eye worm) glutamate receptor 2 0.0026 0.034 0.034
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0578 0.1309
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0131 0.3946 1
Echinococcus multilocularis neutral amino acid transporter A 0.0131 0.3946 0.3946
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0756 0.3598
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0031 0.051 0.051
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.1977 0.1977
Schistosoma mansoni ATP-binding cassette transporter 0.0026 0.034 0.034
Echinococcus multilocularis glutamate receptor 2 0.0031 0.051 0.051
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.1081 0.142
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0756 1
Echinococcus multilocularis sodium channel protein 0.0037 0.0698 0.0698
Plasmodium vivax importin-beta 2, putative 0.0029 0.0433 0.45
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0246 0.1883
Entamoeba histolytica hypothetical protein 0.0074 0.1977 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.073 0.073
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0037 0.0698 0.0698
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 1 1
Schistosoma mansoni hypothetical protein 0.0048 0.1081 0.1081
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2856 0.2856
Entamoeba histolytica hypothetical protein 0.0023 0.0246 0.092
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0115 0.0236
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.7607 0.7607
Echinococcus multilocularis excitatory amino acid transporter 3 0.0131 0.3946 0.3946
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0115 0.0482
Schistosoma mansoni ap endonuclease 0.0018 0.007 0.007
Schistosoma mansoni glutamate receptor NMDA 0.0031 0.051 0.051
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0063 0.1614 0.1614
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0115 0.0115
Entamoeba histolytica hypothetical protein 0.0074 0.1977 1
Schistosoma mansoni hypothetical protein 0.0308 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0115 0.0482
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.071 0.6875
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.1081 0.1081
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0115 0.0482
Schistosoma mansoni glutamate receptor AMPA 0.0026 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0103 0.298 0.298
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.1719 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.002 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.002 0.013 0.013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.4617 0.4617
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1001 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0433 0.0433
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0876 0.4884
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.073 0.073
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.073 0.4003
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0042 0.0879 0.0879
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.071 0.6875
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.013 0.013
Schistosoma mansoni ap endonuclease 0.0018 0.007 0.007
Loa Loa (eye worm) inositol-1 0.0037 0.071 0.071
Brugia malayi Glutamate receptor 2 precursor 0.0026 0.034 0.0447
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0115 0.0482
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1719 0.1719
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0131 0.3946 0.3946
Plasmodium falciparum importin beta, putative 0.0029 0.0433 0.5282
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0115 0.0115
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0115 0.0115
Schistosoma mansoni lipoxygenase 0.002 0.013 0.013
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.071 0.3882
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0578 0.5
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.073 0.073
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Loa Loa (eye worm) doublecortin family protein 0.002 0.013 0.013
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.073 0.3462
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.1081 0.1081
Loa Loa (eye worm) hypothetical protein 0.0029 0.0433 0.0433
Loa Loa (eye worm) glutamate receptor 1 0.0026 0.034 0.034
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0031 0.051 0.051
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.073 0.073
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.2542 0.2542
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0026 0.034 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2542 0.2542
Schistosoma mansoni DNA polymerase eta 0.0045 0.1001 0.1001
Schistosoma mansoni importin beta-1 0.0029 0.0433 0.0433
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0876 0.4884
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0876 0.2891
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2542 0.2542
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.4312 0.4312
Echinococcus granulosus excitatory amino acid transporter 3 0.0131 0.3946 0.3946
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.013 0.013
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.013 0.013
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.073 0.9622
Schistosoma mansoni inositol monophosphatase 0.0037 0.071 0.071
Echinococcus granulosus Excitatory amino acid transporter 0.0131 0.3946 0.3946
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0042 0.0879 0.0879
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.071 0.3882
Echinococcus granulosus intermediate filament protein 0.0027 0.0366 0.0366
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.2856 0.2856
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2856 0.2856
Schistosoma mansoni loxhd1 0.002 0.013 0.013
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0042 0.0879 0.0879
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0115 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0115 0.0272
Echinococcus multilocularis neutral amino acid transporter A 0.0131 0.3946 0.3946
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.4312 0.4312
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0115 0.0482
Brugia malayi Glutamate receptor 1 precursor 0.0026 0.034 0.0447
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1719 0.1719
Echinococcus granulosus excitatory amino acid transporter 2 0.0131 0.3946 0.3946
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.071 0.6875
Schistosoma mansoni intermediate filament proteins 0.0027 0.0366 0.0366
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0063 0.1614 0.1614
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.007 0.007
Schistosoma mansoni glutamate receptor kainate 0.0058 0.1444 0.1444
Brugia malayi Latrophilin receptor protein 2 0.0048 0.1081 0.142
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.073 0.4003
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0876 0.2891
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0058 0.1439 0.1439
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.073 0.073
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.073 0.073
Giardia lamblia DINP protein human, muc B family 0.002 0.0115 0.0655
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0115 0.0482
Schistosoma mansoni lipoxygenase 0.0056 0.1364 0.1364
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0115 0.0115
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.007 0.007
Echinococcus multilocularis NMDA receptor 0.0042 0.0879 0.0879
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0756 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0433 0.3891
Schistosoma mansoni hypothetical protein 0.0048 0.1081 0.1081
Brugia malayi intermediate filament protein 0.0027 0.0366 0.0481
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2856 0.2856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2542 0.2542
Echinococcus granulosus glutamate receptor 2 0.0021 0.0178 0.0178
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.007 0.0092
Echinococcus multilocularis Excitatory amino acid transporter 0.0131 0.3946 0.3946
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.071 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0063 0.1614 0.1614
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0115 0.0116
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0131 0.3946 0.3946
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.007 0.007
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.7607 0.7607
Echinococcus multilocularis lamin 0.0027 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0038 0.073 0.073
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0131 0.3946 1
Brugia malayi hypothetical protein 0.002 0.013 0.0171
Schistosoma mansoni glutamate receptor kainate 0.0026 0.034 0.034
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0115 0.0482
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0131 0.3946 0.3946
Brugia malayi Melibiase family protein 0.0066 0.1719 0.226
Toxoplasma gondii melibiase subfamily protein 0.01 0.2856 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.4617 0.6069
Echinococcus multilocularis excitatory amino acid transporter 2 0.0131 0.3946 0.3946
Schistosoma mansoni inositol monophosphatase 0.0037 0.071 0.071
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0063 0.1614 0.1614
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.1977 0.1977
Schistosoma mansoni hypothetical protein 0.0074 0.1977 0.1977
Echinococcus multilocularis snurportin 1 0.0308 1 1
Schistosoma mansoni glutamate receptor kainate 0.0058 0.1444 0.1444
Treponema pallidum glutamate transporter 0.0058 0.1439 1
Schistosoma mansoni hypothetical protein 0.0048 0.1081 0.1081
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.073 0.073
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.071 0.071
Echinococcus granulosus RUN 0.002 0.013 0.013
Schistosoma mansoni rab6-interacting 0.002 0.013 0.013
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.071 0.3882
Loa Loa (eye worm) hypothetical protein 0.0048 0.1081 0.1081
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0058 0.1439 0.1439
Brugia malayi Importin beta-1 subunit 0.0029 0.0433 0.0569
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.4617 0.6069
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0876 1
Leishmania major DNA polymerase eta, putative 0.0045 0.1001 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.073 0.7089
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Schistosoma mansoni hypothetical protein 0.0166 0.5136 0.5136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2542 0.2542
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0037 0.0698 0.674
Schistosoma mansoni lamin 0.0027 0.0366 0.0366
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.298 0.3917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2542 0.2542
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0366 0.0366
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.2856 0.2856
Echinococcus granulosus dna polymerase eta 0.0045 0.1001 0.1001
Brugia malayi hypothetical protein 0.0074 0.1977 0.2599
Loa Loa (eye worm) hypothetical protein 0.0027 0.0366 0.0366
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.013 0.013
Echinococcus multilocularis glutamate receptor 2 0.0021 0.0178 0.0178
Onchocerca volvulus 0.0027 0.0366 0.0619
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.073 0.096
Echinococcus granulosus geminin 0.0166 0.5136 0.5136
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0063 0.1614 0.1614
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.013 0.013
Schistosoma mansoni hypothetical protein 0.0103 0.298 0.298
Loa Loa (eye worm) excitatory amino acid transporter 0.0131 0.3946 0.3946
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Echinococcus multilocularis lamin dm0 0.0027 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0045 0.1001 0.1001
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0115 0.0701
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0115 0.0482
Echinococcus granulosus neutral amino acid transporter 0.0131 0.3946 0.3946
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.2542 0.3342
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.2856 0.2856
Brugia malayi Excitatory amino acid transporter 0.0131 0.3946 0.5187
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.1364 0.1364
Schistosoma mansoni hypothetical protein 0.002 0.013 0.013
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.071 0.3358
Echinococcus multilocularis dna polymerase kappa 0.002 0.0115 0.0115
Echinococcus granulosus glutamate receptor 2 0.0031 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0066 0.1719 0.1719
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0246 0.1063
Echinococcus multilocularis RUN 0.002 0.013 0.013
Echinococcus multilocularis excitatory amino acid transporter 2 0.0131 0.3946 0.3946
Echinococcus multilocularis geminin 0.0166 0.5136 0.5136
Schistosoma mansoni hypothetical protein 0.0048 0.1081 0.1081
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0366 0.0366
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.071 0.071
Echinococcus granulosus sodium:dicarboxylate symporter 0.0131 0.3946 0.3946
Brugia malayi RNA, U transporter 1 0.0082 0.2256 0.2965
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0131 0.3946 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0876 0.0876
Leishmania major DNA polymerase eta, putative 0.0032 0.0538 0.5027
Schistosoma mansoni rab6-interacting 0.002 0.013 0.013
Echinococcus granulosus Excitatory amino acid transporter 0.0131 0.3946 0.3946
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0042 0.0879 0.0879
Echinococcus multilocularis dna polymerase eta 0.0045 0.1001 0.1001
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2856 0.2856
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.4312 0.5669
Brugia malayi MH2 domain containing protein 0.0238 0.7607 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0026 0.034 0.034
Schistosoma mansoni polycystin 1-related 0.002 0.013 0.013
Leishmania major DNA polymerase kappa, putative 0.002 0.0115 0.0482
Schistosoma mansoni hypothetical protein 0.0166 0.5136 0.5136
Treponema pallidum glutamate/aspartate transporter 0.0058 0.1439 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0115 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.073 0.4003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.1977 0.1977
Brugia malayi Inositol-1 0.0037 0.071 0.0934
Entamoeba histolytica hypothetical protein 0.0074 0.1977 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0246 0.1063
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0538 0.5027
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0246 0.1063
Echinococcus multilocularis Excitatory amino acid transporter 0.0131 0.3946 0.3946
Brugia malayi Cytochrome P450 family protein 0.0022 0.0197 0.0259
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.071 0.6875
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2542 0.2542
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0433 0.1301
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0538 0.168
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0115 0.0272
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0197 0.0197
Leishmania major importin beta-1 subunit, putative 0.0023 0.0246 0.1883
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0063 0.1614 0.1614
Chlamydia trachomatis glutamate symporter 0.0131 0.3946 1
Brugia malayi hypothetical protein 0.002 0.013 0.0171
Echinococcus granulosus lamin 0.0027 0.0366 0.0366
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.013 0.013
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.4176 0.4176
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.073 0.7089
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0115 0.0482
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.073 0.7089
Schistosoma mansoni glutamate receptor AMPA 0.0026 0.034 0.034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2542 0.2542
Echinococcus multilocularis musashi 0.0027 0.0366 0.0366
Onchocerca volvulus 0.0027 0.0366 0.0619
Loa Loa (eye worm) acetyltransferase 0.0142 0.4312 0.4312
Echinococcus granulosus lamin dm0 0.0027 0.0366 0.0366
Echinococcus multilocularis GPCR, family 2 0.0048 0.1081 0.1081
Echinococcus multilocularis neutral amino acid transporter A 0.0131 0.3946 0.3946
Entamoeba histolytica hypothetical protein 0.0074 0.1977 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.1364 0.1364
Echinococcus granulosus neutral amino acid transporter A 0.0131 0.3946 0.3946
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0115 0.0701
Echinococcus granulosus importin subunit beta 1 0.0029 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.0026 0.0349 0.0349
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.071 0.1652
Schistosoma mansoni lamin 0.0027 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0151 0.4617 0.4617
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.1001 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0058 0.1439 0.1439
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.1001 0.1316
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.073 0.7089
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.1081 0.1081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.1081 0.1081
Brugia malayi Doublecortin family protein 0.002 0.013 0.0171
Echinococcus multilocularis glutamate receptor 2 0.0026 0.034 0.034
Echinococcus granulosus GPCR family 2 0.0048 0.1081 0.1081
Trypanosoma brucei unspecified product 0.002 0.0115 0.0482
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0433 0.3891
Schistosoma mansoni glutamate receptor NMDA 0.0026 0.034 0.034
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0058 0.1439 0.1439

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 4900 nM Reduce in the cell count when drug added to the murine L1210 leukemia cell cultures for 70 h ChEMBL. 6688830
ID50 (functional) = 4900 nM Reduce in the cell count when drug added to the murine L1210 leukemia cell cultures for 70 h ChEMBL. 6688830
ILS (functional) 0 % Percent increase in the life span of treated mice over a group of control mice injected with p388 tumor alone when administered intraperitoneally(>500) as a solution in 0.1 mL of 30%,v/v, ethanol/water; Inactive ChEMBL. 6688830
K (functional) = 4.9 Binding constant to poly (dA-dT) was determined in calf thymus DNA by a fluorometric method ChEMBL. 6688830
Log 1/D50 (functional) < 3 Drug concentration in mole/kg/day providing 50% extension of life in intraperitoneally implanted leukemia L1210 mice. ChEMBL. 7069706
Log 1/LD10 (ADMET) < 3 Compound concentration in mole/kg/day lethal to 10% of mice ChEMBL. 7069706
Log Kd (binding) 0 DNA binding dissociation constant as KD; No data ChEMBL. 6708048
pKa (ADMET) = 7.63 Acid dissociation constant was determined ChEMBL. 6688830
Rm = 0.36 Chromatographic measure of drug lipophilicity ChEMBL. 6688830
T1/2 (ADMET) > 70 min Half life of the drug was determined in the presence of 2-mercaptoethanol ChEMBL. 6688830

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

3 literature references were collected for this gene.

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