Detailed information for compound 982276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.904 | Formula: C21H26ClN3O
  • H donors: 0 H acceptors: 1 LogP: 5.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N1CCCCC1)CC.[Cl-]
  • InChi: 1S/C21H26N3O.ClH/c1-3-23(4-2)16-8-10-18-20(14-16)25-21-15-17(9-11-19(21)22-18)24-12-6-5-7-13-24;/h8-11,14-15H,3-7,12-13H2,1-2H3;1H/q+1;/p-1
  • InChiKey: NMTLAJFYOVDDHM-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127598 0.312661 0.284649
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.00731022 0.124353 0.12751
Loa Loa (eye worm) prolyl oligopeptidase 0.0170547 0.461068 0.459097
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.00731022 0.124353 0.104875
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.00512984 0.049011 0.0107456
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.00562303 0.066053 0.0677301
Echinococcus multilocularis Dipeptidyl peptidase 9 0.00562303 0.066053 0.0282014
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0127598 0.312661 1
Trypanosoma cruzi AMP deaminase, putative 0.0319347 0.975237 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.00794648 0.146338 0.392343
Loa Loa (eye worm) phosphatidylinositol 3 0.00512984 0.049011 0.0256158
Trypanosoma cruzi AMP deaminase, putative 0.0319347 0.975237 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0064407 0.0943071 0.0967016
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0127598 0.312661 0.284649
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.292336
Schistosoma mansoni adenosine kinase 0.0161324 0.429199 0.41047
Loa Loa (eye worm) AMP deaminase 0.0319347 0.975237 1
Entamoeba histolytica AMP deaminase, putative 0.0319347 0.975237 1
Echinococcus multilocularis solute carrier family 28 0.0326513 1 1
Loa Loa (eye worm) hypothetical protein 0.00483868 0.03895 0.0150318
Trypanosoma brucei adenosine kinase, putative 0.0161324 0.429199 0.41047
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512984 0.049011 0.0502554
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.00731022 0.124353 0.360737
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127598 0.312661 0.284649
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.00512984 0.049011 0.0104687
Brugia malayi prolyl oligopeptidase family protein 0.0170547 0.461068 0.472775
Brugia malayi GMP synthase 0.00703642 0.114892 0.117809
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.320599
Brugia malayi Adenosine/AMP deaminase family protein 0.0113854 0.265169 0.271902
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0319347 0.975237 1
Onchocerca volvulus 0.0113854 0.265169 0.241612
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.00852481 0.166322 0.503213
Trypanosoma brucei AMP deaminase, putative 0.0319347 0.975237 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512984 0.049011 0.0107456
Schistosoma mansoni GMP synthetase 0.00703642 0.114892 0.071128
Leishmania major adenosine kinase, putative 0.0161324 0.429199 0.41047
Loa Loa (eye worm) phosphatidylinositol 3 0.0276112 0.825842 0.842837
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.00512984 0.049011 0.104968
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0127598 0.312661 0.284649
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.00562303 0.066053 0.0183994
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0319347 0.975237 1
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0127598 0.312661 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0064407 0.0943071 0.073267
Trypanosoma brucei AMP deaminase, putative 0.0319347 0.975237 1
Leishmania major AMP deaminase, putative 0.0319347 0.975237 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.00512984 0.049011 0.0502554
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0170547 0.461068 0.439226
Brugia malayi hypothetical protein 0.00483868 0.03895 0.039939
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.00731022 0.124353 0.0888642
Loa Loa (eye worm) hypothetical protein 0.0205493 0.581821 0.586128
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0113854 0.265169 0.233375
Loa Loa (eye worm) hypothetical protein 0.00512984 0.049011 0.0256158
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00512984 0.049011 0.104968
Echinococcus multilocularis AMP deaminase 2 0.0319347 0.975237 0.974234
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127598 0.312661 0.284649
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0319347 0.975237 1
Echinococcus granulosus GMP synthase glutamine hydrolyzing 0.00703642 0.114892 0.0790194
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00731022 0.124353 0.12751
Plasmodium falciparum adenosine deaminase 0.0113854 0.265169 0.233375
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512984 0.049011 0.0107456
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0170547 0.461068 0.439226
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.00562303 0.066053 0.0183994
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00512984 0.049011 0.104968
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00731022 0.124353 0.12751
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0127598 0.312661 0.284804
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127598 0.312661 0.320599
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0127598 0.312661 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.292336
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483868 0.03895 0.070813
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0276112 0.825842 0.818783
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 1
Onchocerca volvulus 0.0146477 0.377896 0.36201
Brugia malayi hypothetical protein 0.00442516 0.0246612 0.0252874
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0276112 0.825842 0.818783
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0213153 0.60829 0.592414
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0326513 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.00512984 0.049011 0.0104687
Brugia malayi adenosine monophosphate deaminase 0.0319347 0.975237 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127598 0.312661 0.284649
Schistosoma mansoni adenosine deaminase 0.0113854 0.265169 0.233375
Onchocerca volvulus 0.0276112 0.825842 0.840438
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794648 0.146338 0.150054
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.292336
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 1
Loa Loa (eye worm) hypothetical protein 0.00483868 0.03895 0.0150318
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0276112 0.825842 0.818783
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.00731022 0.124353 0.0813429
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0127598 0.312661 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127598 0.312661 0.320599
Trypanosoma cruzi adenosine kinase, putative 0.0161324 0.429199 0.440097
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.00512984 0.049011 0.0104687
Echinococcus multilocularis 0.0064407 0.0943071 0.0576006
Trypanosoma brucei adenosine kinase, putative 0.0161324 0.429199 0.41047
Leishmania major adenine aminohydrolase 0.0113854 0.265169 0.233375
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0064407 0.0943071 0.0489039
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512984 0.049011 0.104968
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794648 0.146338 0.10508
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.00731022 0.124353 0.0912144
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00512984 0.049011 0.104968
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0127598 0.312661 0.284649
Echinococcus granulosus adenosine deaminase 0.0113854 0.265169 0.235387
Echinococcus multilocularis GMP synthase (glutamine hydrolyzing) 0.00703642 0.114892 0.0790194
Toxoplasma gondii kinase, pfkB family protein 0.0161324 0.429199 0.41047
Leishmania major phosphatidylinositol 4-kinase, putative 0.0064407 0.0943071 0.0489039
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0127598 0.312661 0.284804
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127598 0.312661 0.284649
Onchocerca volvulus Adenosine deaminase homolog 0.0113854 0.265169 0.241612
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0064407 0.0943071 0.0967016
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00512984 0.049011 0.104968
Schistosoma mansoni phosphatidylinositol 4-kinase 0.00731022 0.124353 0.0813429
Leishmania major GMP synthase, putative,glutamine amidotransferase, putative 0.00703642 0.114892 0.071128
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512984 0.049011 0.0502554
Onchocerca volvulus 0.0276112 0.825842 0.840438
Schistosoma mansoni AMP deaminase 0.0319347 0.975237 1
Plasmodium falciparum GMP synthase [glutamine-hydrolyzing] 0.00703642 0.114892 0.071128
Loa Loa (eye worm) hypothetical protein 0.00483868 0.03895 0.0150318
Trypanosoma brucei AMP deaminase, putative 0.0319347 0.975237 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.00512984 0.049011 0.0367577
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.00512984 0.049011 0.0104687
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0127598 0.312661 0.284804
Trichomonas vaginalis adenosine deaminase, putative 0.0113854 0.265169 0.838775
Toxoplasma gondii bifunctional GMP synthase/glutamine amidotransferase protein 0.00703642 0.114892 0.071128
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0319347 0.975237 1
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0319347 0.975237 1
Echinococcus granulosus AMP deaminase 2 0.0319347 0.975237 0.974234
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.00731022 0.124353 0.0813429
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.00512984 0.049011 0.0104687
Echinococcus multilocularis Zinc finger, PHD finger 0.00512984 0.049011 0.0104687
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794648 0.146338 0.150054
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127598 0.312661 0.284649
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0127598 0.312661 0.284804
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483868 0.03895 0.070813
Trypanosoma cruzi AMP deaminase, putative 0.0319347 0.975237 1
Schistosoma mansoni adenosine kinase 0.0161324 0.429199 0.41047
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512984 0.049011 0.0107456
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00512984 0.049011 0.0502554
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0170547 0.461068 0.444877
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00535051 0.0566361 0.00823243
Loa Loa (eye worm) hypothetical protein 0.0276112 0.825842 0.842837
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064407 0.0943071 0.0967016
Echinococcus granulosus Dipeptidyl peptidase 9 0.00562303 0.066053 0.0282014
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.00562303 0.066053 0.0183994
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0064407 0.0943071 0.0489039
Entamoeba histolytica AMP deaminase, putative 0.0319347 0.975237 1
Brugia malayi Adenosine kinase-like 0.0161324 0.429199 0.440097
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127598 0.312661 0.320599
Trichomonas vaginalis adenosine deaminase, putative 0.0113854 0.265169 0.838775
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0064407 0.0943071 0.0489039
Trypanosoma cruzi GMP synthase [glutamine-hydrolysing] 0.0059143 0.0761175 0.0780502
Trypanosoma brucei GMP synthase [glutamine-hydrolysing] 0.00703642 0.114892 0.071128
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0127598 0.312661 0.320599
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0326513 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.00852481 0.166322 0.503213
Giardia lamblia Phosphatidylinositol 4-kinase 0.0064407 0.0943071 0.202247
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0127598 0.312661 1
Trypanosoma cruzi AMP deaminase, putative 0.0319347 0.975237 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0276112 0.825842 0.842837
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0276112 0.825842 0.838705
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0113854 0.265169 1
Entamoeba histolytica hypothetical protein 0.00512984 0.049011 0.0107456
Loa Loa (eye worm) hypothetical protein 0.00703642 0.114892 0.0949219
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0276112 0.825842 0.818783
Toxoplasma gondii AMP deaminase 0.0319347 0.975237 1
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0326513 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512984 0.049011 0.0107456
Brugia malayi Nucleoside transporter family protein 0.00483868 0.03895 0.039939
Echinococcus multilocularis adenosine deaminase 0.0113854 0.265169 0.235387
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.284649
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00512984 0.049011 0.0502554
Echinococcus granulosus adenosine kinase 0.0161324 0.429199 0.406065
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.00904834 0.184413 0.168058
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0127598 0.312661 0.284649
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.320599
Echinococcus multilocularis adenosine kinase 0.0161324 0.429199 0.406065
Plasmodium falciparum AMP deaminase, putative 0.0319347 0.975237 1
Plasmodium vivax adenosine deaminase, putative 0.0113854 0.265169 0.233375
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.00904834 0.184413 0.168058
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00731022 0.124353 0.360737
Loa Loa (eye worm) hypothetical protein 0.00852481 0.166322 0.149026
Loa Loa (eye worm) hypothetical protein 0.0113854 0.265169 0.253012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512984 0.049011 0.0502554
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.00731022 0.124353 0.0888642
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0064407 0.0943071 0.0489039
Mycobacterium ulcerans adenosine deaminase 0.0113854 0.265169 0.759861
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.00852481 0.166322 0.149026
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00840042 0.162024 0.122014
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.00852481 0.166322 0.132534
Loa Loa (eye worm) hypothetical protein 0.0161324 0.429199 0.425571
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.00512984 0.049011 0.104968
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127598 0.312661 0.284649
Trypanosoma cruzi adenosine kinase, putative 0.0161324 0.429199 0.440097
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.320599
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483868 0.03895 0.070813
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127598 0.312661 0.284649
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.00562303 0.066053 0.0183994
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127598 0.312661 0.320599
Brugia malayi prolyl oligopeptidase family protein 0.00562303 0.066053 0.0677301
Onchocerca volvulus AMP deaminase 2 homolog 0.0319347 0.975237 1
Loa Loa (eye worm) hypothetical protein 0.0113854 0.265169 0.253012
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0064407 0.0943071 0.0576006
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0276112 0.825842 0.846811
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.00562303 0.066053 0.0677301
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.00423501 0.0180906 0.01855
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0170547 0.461068 0.450842
Entamoeba histolytica adenosine deaminase, putative 0.0113854 0.265169 0.241612
Leishmania major hypothetical protein, conserved 0.0113854 0.265169 0.233375
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.00852481 0.166322 0.149026
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.00794648 0.146338 0.10508
Entamoeba histolytica adenosine deaminase, putative 0.0113854 0.265169 0.241612
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512984 0.049011 0.0107456
Schistosoma mansoni adenosine deaminase-related 0.0113854 0.265169 0.233375
Echinococcus granulosus solute carrier family 28 0.0326513 1 1
Trypanosoma cruzi AMP deaminase 2, putative 0.0113854 0.265169 0.271902
Trypanosoma cruzi AMP deaminase, putative 0.0319347 0.975237 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0276112 0.825842 0.842837
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0113854 0.265169 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0113854 0.265169 0.233375
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483868 0.03895 0.070813
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0276112 0.825842 0.846811
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.00562303 0.066053 0.0183994
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.00852481 0.166322 0.132534
Plasmodium vivax GMP synthetase, putative 0.00703642 0.114892 0.071128
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0319347 0.975237 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512984 0.049011 0.104968
Plasmodium vivax adenosine/AMP deaminase, putative 0.0319347 0.975237 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512984 0.049011 0.104968

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.35 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 30 mg/kg/day peroral dose over 3 days ChEMBL. 19181530
Activity (functional) = 0.43 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 4 mg/kg/day peroral dose over 3 days ChEMBL. 19181530
Activity (functional) = 0.71 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 4 mg/kg/day intravenous dose over 3 days ChEMBL. 19181530
Activity (functional) = 76 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 4 mg/kg peroral dose at day 4 ChEMBL. 19181530
Activity (functional) = 85.9 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 4 mg/kg intravenous dose at day 4 ChEMBL. 19181530
Activity (functional) = 90 % Antimalarial activity as reduced parasitaemia at day 6 against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 30 mg/kg/day peroral dose for 3 days ChEMBL. 19181530
Activity (functional) = 95.9 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 20 mg/kg/day intraperitoneal dose at day 4 ChEMBL. 19181530
Activity (functional) = 96.2 % Antimalarial activity as reduced parasitaemia against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 30 mg/kg peroral dose at day 4 ChEMBL. 19181530
Activity (functional) = 97.8 % Antimalarial activity as reduced parasitaemia at day 4 against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 100 mg/kg/day peroral dose for 3 days ChEMBL. 19181530
IC50 (functional) = 2.69 nM Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 ChEMBL. 19181530
IC50 (functional) = 0.003 uM Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 ChEMBL. 18476684
IC50 (functional) = 0.048 uM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 ChEMBL. 18476684
IC50 (functional) = 0.245 uM Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 18476684
IC50 (functional) = 1.439 uM Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 axenic amastigotes ChEMBL. 18476684
MSD (functional) = 12.7 day Antimalarial activity as mean survival days against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 100 mg/kg/day peroral dose at day 4 ChEMBL. 19181530
MSD (functional) = 23.3 day Antimalarial activity as mean survival days against Plasmodium berghei NK65 infected ICR mice (Mus musculus) at 20 mg/kg/day intraperitoneal dose ChEMBL. 19181530

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18476684
Leishmania donovani ChEMBL23 18476684
Trypanosoma cruzi ChEMBL23 18476684
Trypanosoma brucei gambiense 18476684

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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