Detailed information for compound 1270197

Basic information

Technical information
  • TDR Targets ID: 1270197
  • Name: 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8,9,10-h exahydrocycloocta[e]pyridine-3-carbonitrile
  • MW: 281.352 | Formula: C17H19N3O
  • H donors: 1 H acceptors: 2 LogP: 4.21 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc2c(c1c1ccc(o1)C)CCCCCC2
  • InChi: 1S/C17H19N3O/c1-11-8-9-15(21-11)16-12-6-4-2-3-5-7-14(12)20-17(19)13(16)10-18/h8-9H,2-7H2,1H3,(H2,19,20)
  • InChiKey: BFIFTWSAMIFVIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-(5-methyl-2-furyl)-5,6,7,8,9,10-hexahydrocycloocta[e]pyridine-3-carbonitrile
  • CBMicro_027623
  • MLS000107638
  • BIM-0027706.P001
  • SMR000103604
  • AK-968/11532068
  • Oprea1_133668
  • Oprea1_659549

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0561 0.1012 0.4337
Loa Loa (eye worm) hypothetical protein 0.0177 0.0109 0.0312
Schistosoma mansoni hypothetical protein 0.039 0.0609 0.1404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Leishmania major phosphatidylinositol 3-related kinase, putative 0.107 0.2207 0.6008
Entamoeba histolytica hypothetical protein 0.0745 0.1443 0.7942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0893 0.1792 0.4737
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0893 0.1792 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0504 0.0877 0.2262
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0893 0.1792 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0893 0.1792 0.4656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0681 0.1292 0.5663
Trypanosoma cruzi hypothetical protein, conserved 0.1495 0.3205 0.8538
Toxoplasma gondii FATC domain-containing protein 0.0745 0.1443 0.7942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Loa Loa (eye worm) phosphatidylinositol 3 0.107 0.2207 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.107 0.2207 1
Mycobacterium leprae conserved hypothetical protein 0.0172 0.0098 1
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0172 0.0098 0.5
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0504 0.0877 0.0787
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0893 0.1792 0.4826
Loa Loa (eye worm) hypothetical protein 0.0504 0.0877 0.386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0745 0.1443 0.3698
Trichomonas vaginalis conserved hypothetical protein 0.039 0.0609 0.2423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Leishmania major phosphatidylinositol 3-kinase, putative 0.0893 0.1792 0.4826
Leishmania major hypothetical protein, conserved 0.1667 0.3608 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0172 0.0098 1
Trichomonas vaginalis conserved hypothetical protein 0.0332 0.0474 0.1782
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.0098 0.026
Trichomonas vaginalis conserved hypothetical protein 0.0561 0.1012 0.4337
Echinococcus multilocularis sodium channel protein 0.037 0.0563 0.047
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0034 0.3492
Entamoeba histolytica protein kinase rad3, putative 0.0504 0.0877 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.107 0.2207 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0745 0.1443 0.3698
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.0098 0.026
Brugia malayi FAT domain containing protein 0.039 0.0609 0.1535
Leishmania major phosphatidylinositol kinase related protein, putative 0.0413 0.0664 0.1613
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0745 0.1443 0.638
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0681 0.1292 0.705
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0893 0.1792 0.4656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1722 0.3737 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0172 0.0098 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0573 0.104 0.2589
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1722 0.3737 0.3675
Plasmodium vivax hypothetical protein 0.0172 0.0098 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0893 0.1792 0.1711
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1722 0.3737 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.0098 0.026
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0745 0.1443 0.3794
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trypanosoma cruzi target of rapamycin kinase 3 0.0893 0.1792 0.4656
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.0098 0.0152
Leishmania major calcium channel protein, putative,ion transporter, putative 0.037 0.0563 0.1326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Echinococcus granulosus serine protein kinase ATM 0.0745 0.1443 0.1359
Loa Loa (eye worm) hypothetical protein 0.039 0.0609 0.262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Echinococcus granulosus sodium channel protein 0.037 0.0563 0.047
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0172 0.0098 0.026
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1722 0.3737 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0034 0.3492
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0561 0.1012 0.4337
Loa Loa (eye worm) hypothetical protein 0.0573 0.104 0.461
Plasmodium vivax hypothetical protein, conserved 0.0172 0.0098 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0504 0.0877 0.2142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0034 0.3492
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1722 0.3737 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.0098 0.026
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0893 0.1792 0.4656
Loa Loa (eye worm) phosphatidylinositol kinase 0.0172 0.0098 0.026
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0172 0.0098 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0893 0.1792 0.8033
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0893 0.1792 0.1711
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0893 0.1792 0.4826
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0172 0.0098 0.0152
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.037 0.0563 0.047
Loa Loa (eye worm) hypothetical protein 0.0172 0.0098 0.026
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Loa Loa (eye worm) hypothetical protein 0.0172 0.0098 0.026
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0413 0.0664 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.039 0.0609 0.0516
Loa Loa (eye worm) hypothetical protein 0.0177 0.0109 0.0312
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0504 0.0877 0.0787
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0172 0.0098 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0034 0.3492
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0172 0.0098 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Schistosoma mansoni fkbp-rapamycin associated protein 0.0504 0.0877 0.2142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.0474 0.1782
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0893 0.1792 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0877 0.3696
Echinococcus multilocularis serine protein kinase ATM 0.0745 0.1443 0.1359
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1722 0.3737 0.3675
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0561 0.1012 0.5399
Giardia lamblia GTOR 0.0893 0.1792 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.039 0.0609 0.0516
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0893 0.1792 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0893 0.1792 1
Onchocerca volvulus 0.0172 0.0098 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4389 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0745 0.1443 0.638
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0172 0.0098 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.0098 0.026
Loa Loa (eye worm) hypothetical protein 0.0561 0.1012 0.4484
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0172 0.0098 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033
Onchocerca volvulus 0.0172 0.0098 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0893 0.1792 0.8033
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0893 0.1792 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.0893 0.1792 0.8084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0893 0.1792 0.8033

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.