Detailed information for compound 315613

Basic information

Technical information
  • TDR Targets ID: 315613
  • Name: (4S,5R)-5-ethyl-4-methyl-4,5-dihydro-1,3-sele nazol-2-amine
  • MW: 191.133 | Formula: C6H12N2Se
  • H donors: 1 H acceptors: 0 LogP: 0.57 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]1[Se]C(=N[C@H]1C)N
  • InChi: 1S/C6H12N2Se/c1-3-5-4(2)8-6(7)9-5/h4-5H,3H2,1-2H3,(H2,7,8)/t4-,5+/m0/s1
  • InChiKey: KGDKLNPRYLLBRV-CRCLSJGQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4S,5R)-5-ethyl-4-methyl-4,5-dihydroselenazol-2-amine
  • [(4S,5R)-5-ethyl-4-methyl-4,5-dihydroselenazol-2-yl]amine
  • [(4S,5R)-5-ethyl-4-methyl-4,5-dihydro-1,3-selenazol-2-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 1 (neuronal) Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

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
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.9732
Echinococcus multilocularis peroxidasin 0.0439 0.0433 0.0432
Loa Loa (eye worm) phosphatidylinositol 3 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.7336 0.7952 0.7952
Trichomonas vaginalis PIKK family atypical protein kinase 0.4991 0.5395 0.5395
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Echinococcus multilocularis nervana 2 0.0082 0.0044 0.0043
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0602 0.0611 0.9732
Echinococcus granulosus protein jagged 2 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.4983 0.5387 0.5387
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1757 0.187 0.1869
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.312 0.3356 0.3355
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0803 0.083 0.0829
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0618 0.0628 0.0627
Toxoplasma gondii target of rapamycin (TOR), putative 0.6862 0.7435 1
Echinococcus granulosus serine protein kinase ATM 0.1757 0.187 0.1869
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0697 0.0714 0.0714
Brugia malayi Blistered cuticle protein 3 0.0439 0.0433 0.0432
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0672 0.0687 0.0676
Plasmodium falciparum nitric oxide synthase, putative 0.0059 0.0019 0.0281
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Schistosoma mansoni immunophilin 0.0127 0.0093 0.0092
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0083 0.0045 0.0043
Loa Loa (eye worm) hypothetical protein 0.1757 0.187 0.1869
Giardia lamblia High cysteine protein 0.0142 0.0109 0.0098
Echinococcus granulosus nervana 2 0.0082 0.0044 0.0043
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0059 0.0019 0.0018
Trichomonas vaginalis succinate thiokinase a subunit 0.0043 0.0001 0.0001
Trichomonas vaginalis succinate thiokinase a subunit 0.0043 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Loa Loa (eye worm) hypothetical protein 0.0602 0.0611 0.061
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0149 0.0117 0.0116
Entamoeba histolytica hypothetical protein 0.0602 0.0611 0.061
Echinococcus granulosus neurogenic locus notch protein 4 0.0142 0.0109 0.0108
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0001 0.0001
Schistosoma mansoni immunophilin 0.0127 0.0093 0.0092
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1765 0.1879 0.1878
Schistosoma mansoni voltage-gated potassium channel 0.013 0.0096 0.0095
Schistosoma mansoni immunophilin 0.0109 0.0074 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.1355 0.1432 0.1432
Echinococcus granulosus neurogenic locus protein delta 0.0142 0.0109 0.0108
Schistosoma mansoni voltage-gated potassium channel 0.013 0.0096 0.0095
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0127 0.0093 0.0092
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0059 0.0019 0.0018
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0703 0.0721 0.0721
Trichomonas vaginalis PIKK family atypical protein kinase 0.9215 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0127 0.0093 0.0091
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1957 0.2088 0.2807
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0127 0.0093 0.0093
Toxoplasma gondii AGC kinase 0.0124 0.009 0.0119
Loa Loa (eye worm) animal heme peroxidase 0.0439 0.0433 0.0432
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0751 0.0773 0.0773
Loa Loa (eye worm) phosphatidylinositol 3 0.0602 0.0611 0.061
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Echinococcus granulosus protein jagged 1 0.0142 0.0109 0.0108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0751 0.0773 0.0772
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0602 0.0611 0.061
Loa Loa (eye worm) hypothetical protein 0.0059 0.0019 0.0018
Schistosoma mansoni ATP-citrate synthase 0.0186 0.0157 0.0156
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0059 0.0019 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0602 0.0611 0.0611
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0618 0.0628 0.0628
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0618 0.0628 1
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Chlamydia trachomatis succinyl-CoA ligase subunit alpha 0.0043 0.0001 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0602 0.0611 0.061
Echinococcus multilocularis neurogenic locus notch protein 0.0142 0.0109 0.0108
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0127 0.0093 0.0092
Schistosoma mansoni hypothetical protein 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0602 0.0611 0.9732
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.6181 0.6693 0.6693
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Onchocerca volvulus 0.0439 0.0433 0.7082
Trypanosoma brucei rac serine-threonine kinase, putative 0.0132 0.0099 0.0097
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.1355 0.1432 0.1431
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0127 0.0093 0.0092
Leishmania major phosphatidylinositol kinase, putative 0.0602 0.0611 0.061
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0059 0.0019 0.0018
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0127 0.0093 0.1457
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0059 0.0019 0.0018
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.9215 1 1
Brugia malayi Protein kinase domain containing protein 0.0132 0.0099 0.0098
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0059 0.0019 0.0018
Onchocerca volvulus Peroxidase homolog 0.0439 0.0433 0.7082
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Loa Loa (eye worm) phosphatidylinositol 3 0.0602 0.0611 0.061
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0751 0.0773 0.0772
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.1765 0.1879 0.1879
Loa Loa (eye worm) hypothetical protein 0.1957 0.2088 0.2088
Echinococcus granulosus neural cadherin 0.0142 0.0109 0.0108
Echinococcus multilocularis neurogenic locus protein delta 0.0142 0.0109 0.0108
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0059 0.0019 0.0281
Plasmodium vivax hypothetical protein 0.0602 0.0611 0.9732
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.1355 0.1432 0.1431
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0135 0.0102 0.0101
Trypanosoma brucei target of rapamycin kinase 3, putative 0.7344 0.796 0.796
Brugia malayi notch-like transmembrane receptor 0.0142 0.0109 0.0108
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0618 0.0628 0.0627
Onchocerca volvulus Slit protein homolog 0.0142 0.0109 0.1768
Echinococcus granulosus Glutaredoxin protein 5 0.0082 0.0044 0.0043
Brugia malayi Calcium binding EGF domain containing protein 0.0142 0.0109 0.0108
Echinococcus multilocularis neural cadherin 0.0142 0.0109 0.0108
Onchocerca volvulus Peroxidasin homolog 0.0439 0.0433 0.7082
Loa Loa (eye worm) phosphatidylinositol 3 0.0602 0.0611 0.061
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0618 0.0628 0.0627
Entamoeba histolytica hypothetical protein 0.072 0.0739 0.0738
Brugia malayi Peroxidasin 0.0439 0.0433 0.0432
Onchocerca volvulus 0.0142 0.0109 0.1768
Onchocerca volvulus 0.0602 0.0611 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1757 0.187 0.1869
Trichomonas vaginalis PIKK family atypical protein kinase 0.7336 0.7952 0.7952
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.1757 0.187 0.187
Mycobacterium leprae conserved hypothetical protein 0.0602 0.0611 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0111 0.0076 0.0076
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.3151 0.339 0.3389
Echinococcus multilocularis fibropellin Ia 0.0142 0.0109 0.0108
Onchocerca volvulus Putative cubilin 0.0142 0.0109 0.1768
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0618 0.0628 1
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.3151 0.339 0.3389
Leishmania major hypothetical protein, conserved 0.0673 0.0689 0.0687
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.3112 0.3347 0.3346
Entamoeba histolytica hypothetical protein 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.7336 0.7952 0.7952
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0649 0.0662 0.0661
Entamoeba histolytica protein kinase, putative 0.0132 0.0099 0.0098
Brugia malayi FAD binding domain containing protein 0.0059 0.0019 0.0018
Trichomonas vaginalis fk506-binding protein, putative 0.0127 0.0093 0.0093
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0083 0.0045 0.0688
Trichomonas vaginalis PIKK family atypical protein kinase 0.9215 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0649 0.0662 0.0661
Onchocerca volvulus Peroxidase homolog 0.0439 0.0433 0.7082
Trichomonas vaginalis PIKK family atypical protein kinase 0.5507 0.5958 0.5958
Brugia malayi Calcium binding EGF domain containing protein 0.0142 0.0109 0.0108
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.3151 0.339 0.3389
Echinococcus multilocularis nervana 2 0.0082 0.0044 0.0043
Onchocerca volvulus 0.0142 0.0109 0.1768
Schistosoma mansoni serine/threonine-protein kinase 0.0091 0.0054 0.0053
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0602 0.0611 0.061
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.9215 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0142 0.0109 0.0145
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0697 0.0714 0.0714
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0127 0.0093 0.0091
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Entamoeba histolytica PH domain containing protein kinase, putative 0.0091 0.0054 0.0053
Echinococcus multilocularis fk506 binding protein 0.0127 0.0093 0.0092
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0119 0.0084 0.0083
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.9215 1 1
Brugia malayi Delta serrate ligand family protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0103 0.0067 0.0066
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.9215 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0649 0.0662 0.0661
Trichomonas vaginalis PIKK family atypical protein kinase 0.312 0.3356 0.3356
Trichomonas vaginalis succinate thiokinase a subunit 0.0043 0.0001 0.0001
Echinococcus granulosus peroxidasin 0.0439 0.0433 0.0432
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0059 0.0019 0.0018
Wolbachia endosymbiont of Brugia malayi succinyl-CoA synthetase, alpha subunit 0.0043 0.0001 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3112 0.3347 0.3347
Echinococcus granulosus neurogenic locus notch protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Brugia malayi hypothetical protein 0.0439 0.0433 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0602 0.0611 0.0611
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0618 0.0628 0.0627
Schistosoma mansoni peroxidasin 0.0439 0.0433 0.0432
Trichomonas vaginalis PIKK family atypical protein kinase 0.5981 0.6475 0.6475
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Leishmania major p450 reductase, putative 0.0059 0.0019 0.0018
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0127 0.0093 0.0092
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0618 0.0628 0.0627
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.061
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0005 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.4991 0.5395 0.5395
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0649 0.0662 0.0662
Onchocerca volvulus 0.0142 0.0109 0.1768
Leishmania major phosphatidylinositol 3-related kinase, putative 0.312 0.3356 0.3355
Trichomonas vaginalis PIKK family atypical protein kinase 0.1757 0.187 0.187
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.061
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Schistosoma mansoni slit 0.0142 0.0109 0.0108
Entamoeba histolytica protein kinase 2, putative 0.0083 0.0045 0.0044
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0618 0.0628 0.0627
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.9215 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0602 0.0611 0.061
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0649 0.0662 0.0661
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0602 0.0611 0.061
Entamoeba histolytica hypothetical protein 0.0602 0.0611 0.061
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1757 0.187 0.1869
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0697 0.0714 0.0714
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.4352 0.4699 0.4698
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0618 0.0628 0.0627
Trichomonas vaginalis PIKK family atypical protein kinase 0.7336 0.7952 0.7952
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0074 0.0073
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Echinococcus multilocularis Glutaredoxin protein 5 0.0082 0.0044 0.0043
Schistosoma mansoni cytochrome P450 reductase 0.0059 0.0019 0.0018
Entamoeba histolytica protein kinase, putative 0.0132 0.0099 0.0098
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0886 0.092 0.0919
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0124 0.009 0.0089
Echinococcus multilocularis notch 0.0142 0.0109 0.0108
Brugia malayi GCC2 and GCC3 family protein 0.0142 0.0109 0.0108
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0059 0.0019 0.0018
Loa Loa (eye worm) phosphatidylinositol 3 0.9215 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0602 0.0611 0.061
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1757 0.187 0.1869
Leishmania major hypothetical protein, unknown function 0.0602 0.0611 0.061
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0602 0.0611 0.9732
Entamoeba histolytica protein kinase, putative 0.0124 0.009 0.0089
Plasmodium vivax hypothetical protein, conserved 0.0602 0.0611 0.9732
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.3112 0.3347 0.3347
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0059 0.0019 0.0018
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0032 0.003
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0618 0.0628 0.0627
Echinococcus multilocularis protein jagged 1 0.0142 0.0109 0.0108
Schistosoma mansoni septate junction protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Brugia malayi flavodoxin family protein 0.0059 0.0019 0.0018
Giardia lamblia Kinase, AGC PKA 0.0083 0.0045 0.0033
Brugia malayi Animal haem peroxidase family protein 0.0439 0.0433 0.0432
Leishmania major phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.061
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0059 0.0019 0.193
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0751 0.0773 0.0773
Loa Loa (eye worm) AGC/AKT protein kinase 0.0132 0.0099 0.0098
Onchocerca volvulus 0.0439 0.0433 0.7082
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0127 0.0093 0.0092
Trichomonas vaginalis immunophilin, putative 0.0127 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) animal heme peroxidase 0.0439 0.0433 0.0432
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0602 0.0611 0.0611
Echinococcus granulosus protein jagged 2 0.0142 0.0109 0.0108
Echinococcus multilocularis rac serine:threonine kinase 0.0091 0.0054 0.0053
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0083 0.0045 0.0688
Brugia malayi Cadherin domain containing protein 0.0142 0.0109 0.0108
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0142 0.0109 0.0108
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0127 0.0093 0.0092
Echinococcus multilocularis fat cadherin tumor suppressor 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0054 0.0013 0.0012
Leishmania major phosphatidylinositol 3-kinase, putative 0.3112 0.3347 0.3346
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Echinococcus multilocularis neurogenic locus notch protein 4 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.9215 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0618 0.0628 0.0628
Echinococcus granulosus delta-like protein 1 0.0142 0.0109 0.0108
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0109 0.0074 0.0073
Trichomonas vaginalis conserved hypothetical protein 0.1155 0.1213 0.1213
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.9215 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trichomonas vaginalis AGC family protein kinase 0.0051 0.001 0.001
Echinococcus multilocularis Zinc finger, PHD finger 0.0618 0.0628 0.0627
Loa Loa (eye worm) notch protein 0.0142 0.0109 0.0108
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0649 0.0662 0.0662
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0127 0.0093 0.0081
Echinococcus granulosus nervana 2 0.0082 0.0044 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.3112 0.3347 0.3347
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0618 0.0628 0.0627
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.3836 0.4136 0.4136
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0602 0.0611 0.061
Trypanosoma cruzi target of rapamycin kinase 3 0.7344 0.796 0.796
Brugia malayi p70 ribosomal S6 kinase beta 0.0124 0.009 0.0089
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Brugia malayi Animal haem peroxidase family protein 0.0439 0.0433 0.0432
Loa Loa (eye worm) animal heme peroxidase 0.0439 0.0433 0.0432
Echinococcus granulosus serine threonine protein kinase nrc 0.0083 0.0045 0.0044
Leishmania major cytochrome P450 reductase, putative 0.0052 0.0012 0.001
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0602 0.0611 0.061
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1155 0.1213 0.1212
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Entamoeba histolytica hypothetical protein 0.1757 0.187 0.1869
Echinococcus multilocularis slit 2 protein 0.0142 0.0109 0.0108
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0047 0.0005 0.0004
Leishmania major phosphatidylinositol 3-kinase, putative 0.0618 0.0628 0.0627
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.9215 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0602 0.0611 0.0611
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0052 0.0012 0.0012
Brugia malayi Calcium binding EGF domain containing protein 0.0142 0.0109 0.0108
Entamoeba histolytica protein kinase rad3, putative 0.1757 0.187 0.1869
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0618 0.0628 0.0627
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.3151 0.339 0.3389
Brugia malayi Cadherin domain containing protein 0.0142 0.0109 0.0108
Schistosoma mansoni notch 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.5507 0.5958 0.5958
Giardia lamblia Phosphatidylinositol 4-kinase 0.0602 0.0611 0.06
Leishmania major fk506-binding protein 1-like protein 0.0127 0.0093 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.4983 0.5387 0.5387
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) Notch2 0.0142 0.0109 0.0108
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0091 0.0054 0.0052
Brugia malayi Muscle positioning protein 4 0.0142 0.0109 0.0108
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1757 0.187 0.1869
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0083 0.0045 0.0044
Onchocerca volvulus Peroxidasin homolog 0.0439 0.0433 0.7082
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.7344 0.796 0.796
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.9732
Leishmania major phosphatidylinositol kinase related protein, putative 0.0602 0.0611 0.061
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0127 0.0093 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Trypanosoma cruzi Protein kinase B 0.0091 0.0054 0.0052
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0059 0.0019 0.0018
Giardia lamblia GTOR 0.9215 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0142 0.0109 0.1768
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0602 0.0611 0.061
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Giardia lamblia Hypothetical protein 0.0602 0.0611 0.06
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0649 0.0662 0.0661
Trypanosoma cruzi p450 reductase, putative 0.0059 0.0019 0.0018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0697 0.0714 0.0714
Trichomonas vaginalis sulfite reductase, putative 0.0059 0.0019 0.0019
Schistosoma mansoni laminin gamma-3 chain 0.0142 0.0109 0.0108
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0059 0.0019 0.0018
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0127 0.0093 0.1457
Brugia malayi Animal haem peroxidase family protein 0.0439 0.0433 0.0432
Schistosoma mansoni cell polarity protein 0.0142 0.0109 0.0108
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.9215 1 1
Echinococcus granulosus slit 2 protein 0.0142 0.0109 0.0108
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Echinococcus multilocularis neurogenic locus protein delta 0.0142 0.0109 0.0108
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0751 0.0773 0.0772
Leishmania major peptidylprolyl isomerase-like protein 0.0127 0.0093 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.5507 0.5958 0.5958
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0127 0.0093 0.0092
Brugia malayi FAT domain containing protein 0.1355 0.1432 0.1431
Loa Loa (eye worm) hypothetical protein 0.1155 0.1213 0.1213
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0618 0.0628 0.0843
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0127 0.0093 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4983 0.5387 0.5387
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0602 0.0611 0.061
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.072 0.0739 0.0738
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0886 0.092 0.0919
Schistosoma mansoni peroxidasin 0.0439 0.0433 0.0432
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0649 0.0662 0.0662
Trichomonas vaginalis PIKK family atypical protein kinase 0.5465 0.5912 0.5912
Onchocerca volvulus Chorion peroxidase homolog 0.0439 0.0433 0.7082
Echinococcus multilocularis 0.0602 0.0611 0.061
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Echinococcus granulosus fibropellin Ia 0.0142 0.0109 0.0108
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0602 0.0611 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.9215 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1757 0.187 0.1869
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0803 0.083 0.0829
Trichomonas vaginalis PIKK family atypical protein kinase 0.4991 0.5395 0.5395
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0649 0.0662 0.0661
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0083 0.0045 0.0044
Loa Loa (eye worm) ATP-citrate synthase 0.022 0.0194 0.0193
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0751 0.0773 0.0772
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0082 0.0044 0.0043
Onchocerca volvulus 0.0142 0.0109 0.1768
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Onchocerca volvulus 0.0602 0.0611 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0602 0.0611 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0059 0.0019 0.0018
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0127 0.0093 1
Schistosoma mansoni hypothetical protein 0.1355 0.1432 0.1431
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0127 0.0093 0.0081
Echinococcus multilocularis neurogenic locus notch protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0602 0.0611 0.061
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0602 0.0611 0.082
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.3151 0.339 0.3389
Echinococcus granulosus protein jagged 1 0.0142 0.0109 0.0108
Schistosoma mansoni fkbp-rapamycin associated protein 0.1757 0.187 0.1869
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0127 0.0093 0.0092
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.9215 1 1
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0001 0.0001
Loa Loa (eye worm) animal heme peroxidase 0.0439 0.0433 0.0432
Echinococcus multilocularis serine protein kinase ATM 0.1757 0.187 0.1869
Brugia malayi ATP-citrate synthase 0.022 0.0194 0.0193
Toxoplasma gondii FATC domain-containing protein 0.1757 0.187 0.2514
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0111 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.3151 0.339 0.3389
Trichomonas vaginalis PIKK family atypical protein kinase 0.3112 0.3347 0.3347
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0127 0.0093 0.0091
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.1957 0.2088 0.2088
Loa Loa (eye worm) hypothetical protein 0.0439 0.0433 0.0432
Loa Loa (eye worm) blistered cuticle protein 3 0.0439 0.0433 0.0432
Trichomonas vaginalis AGC family protein kinase 0.0043 0.0001 0.0001
Onchocerca volvulus 0.0142 0.0109 0.1768
Onchocerca volvulus Dual oxidase homolog 0.0439 0.0433 0.7082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0666 0.068 0.0679
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0602 0.0611 0.061
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0127 0.0093 0.0093
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0127 0.0093 0.0091
Entamoeba histolytica PH domain containing protein kinase, putative 0.0091 0.0054 0.0053
Onchocerca volvulus Neurogenic locus notch homolog 0.0142 0.0109 0.1768
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0634 0.0645 0.0634
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0059 0.0019 0.0018
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1757 0.187 0.1869
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Echinococcus granulosus serine/threonine protein kinase 0.0091 0.0054 0.0053
Echinococcus granulosus neurogenic locus notch protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) FKBP5 protein 0.0127 0.0093 0.0092
Onchocerca volvulus 0.0439 0.0433 0.7082
Loa Loa (eye worm) hypothetical protein 0.0142 0.0109 0.0108
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0703 0.0721 0.0721
Toxoplasma gondii ATP-citrate lyase, putative 0.022 0.0194 0.0259
Loa Loa (eye worm) phosphatidylinositol 3 0.0855 0.0886 0.0885
Loa Loa (eye worm) hypothetical protein 0.1871 0.1994 0.1994
Trichomonas vaginalis PIKK family atypical protein kinase 0.1155 0.1213 0.1213
Brugia malayi Animal haem peroxidase family protein 0.0439 0.0433 0.0432
Plasmodium vivax flavodoxin domain containing protein 0.0052 0.0012 0.0164
Echinococcus multilocularis protein jagged 1 0.0142 0.0109 0.0108
Echinococcus granulosus notch 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.2474 0.2651 0.2651
Echinococcus multilocularis protein jagged 2 0.0142 0.0109 0.0108
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0127 0.0093 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.5465 0.5912 0.5912
Loa Loa (eye worm) hypothetical protein 0.0109 0.0074 0.0073
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Loa Loa (eye worm) hypothetical protein 0.1355 0.1432 0.1431
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0618 0.0628 0.0627
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0127 0.0093 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.7336 0.7952 0.7952
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0602 0.0611 0.061
Schistosoma mansoni hypothetical protein 0.0142 0.0109 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.6862 0.7435 0.7435
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0886 0.092 0.0919
Trichomonas vaginalis PIKK family atypical protein kinase 0.4991 0.5395 0.5395
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0082 0.0044 0.0043
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0119 0.0084 0.0083
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1757 0.187 0.1869
Brugia malayi EGF-like domain containing protein 0.0142 0.0109 0.0108
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0751 0.0773 0.0773
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0602 0.0611 0.061
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0142 0.0109 0.0108
Schistosoma mansoni serine/threonine-protein kinase 0.0091 0.0054 0.0053
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0602 0.0611 0.082
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0119 0.0084 0.0083
Trichomonas vaginalis PIKK family atypical protein kinase 0.786 0.8523 0.8523
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0602 0.0611 0.082
Brugia malayi Animal haem peroxidase family protein 0.0439 0.0433 0.0432
Trichomonas vaginalis AGC family protein kinase 0.0132 0.0099 0.0099
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0618 0.0628 0.0843
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0618 0.0628 0.0628
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0119 0.0084 0.0083
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.9215 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0618 0.0628 0.0627
Loa Loa (eye worm) phosphatidylinositol 3 0.312 0.3356 0.3356
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0618 0.0628 0.0627

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 340 nM Inhibitory concentration against inducible nitric acid synthase ChEMBL. 15713387
IC50 (binding) = 340 nM Inhibitory concentration against inducible nitric acid synthase ChEMBL. 15713387
IC50 (binding) = 6900 nM Inhibitory concentration against neuronal nitric acid synthase ChEMBL. 15713387
IC50 (binding) = 6900 nM Inhibitory concentration against neuronal nitric acid synthase ChEMBL. 15713387
Ratio (binding) = 20 nM Inhibitory concentration ratio of Inducible nitric oxide synthase to that of Neuronal nitric oxide synthase ChEMBL. 15713387

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

1 literature reference was collected for this gene.

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