Detailed information for compound 1264815

Basic information

Technical information
  • TDR Targets ID: 1264815
  • Name: N-(furan-2-ylmethyl)-3,6,7-trimethyl-N-[(4-me thylphenyl)methyl]-1-benzofuran-2-carboxamide
  • MW: 387.471 | Formula: C25H25NO3
  • H donors: 0 H acceptors: 1 LogP: 5.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CN(C(=O)c1oc2c(c1C)ccc(c2C)C)Cc1ccco1
  • InChi: 1S/C25H25NO3/c1-16-7-10-20(11-8-16)14-26(15-21-6-5-13-28-21)25(27)24-19(4)22-12-9-17(2)18(3)23(22)29-24/h5-13H,14-15H2,1-4H3
  • InChiKey: CDPUHBZIBZUPSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-furylmethyl)-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]benzofuran-2-carboxamide
  • N-(2-furylmethyl)-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-2-benzofurancarboxamide
  • N-(2-furylmethyl)-3,6,7-trimethyl-N-(4-methylbenzyl)benzofuran-2-carboxamide
  • D062-0813
  • NCGC00115383-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii thioredoxin reductase 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione 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
Leishmania braziliensis trypanothione 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
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani 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
Plasmodium berghei thioredoxin 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
Theileria parva thioredoxin 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0362 0.3301
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0348 0.057 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0362 0.1037
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0574 0.1098 0.3142
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1496 0.3252 0.9306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis conserved hypothetical protein 0.0236 0.0308 0.0881
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0348 0.057 0.0856
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0259 0.0362 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.1057 0.2226 0.2226
Entamoeba histolytica hypothetical protein 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.047 0.0855 0.2448
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0094 0.0159
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.057 0.1632
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0259 0.0362 0.6356
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1117 0.2367 0.6773
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0216 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0112 0.002 0.0034
Echinococcus granulosus expressed protein 0.0451 0.081 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0259 0.0362 0.1037
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0362 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Loa Loa (eye worm) phosphatidylinositol 3 0.047 0.0855 0.1442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Loa Loa (eye worm) hypothetical protein 0.0216 0.0262 0.0442
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0348 0.057 0.5194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1358 0.2929 0.8383
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0259 0.0362 0.0362
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0236 0.0308 0.5399
Loa Loa (eye worm) hypothetical protein 0.0132 0.0065 0.011
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.057 0.0962
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4385 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0259 0.0362 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2958 0.6666 0.6666
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0348 0.057 0.057
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0132 0.0065 0.0065
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0348 0.057 0.5194
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0802 0.1631 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.057 0.1632
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0096 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0062 0.6454
Trypanosoma cruzi target of rapamycin kinase 3 0.0348 0.057 0.1632
Echinococcus multilocularis Zinc finger, PHD finger 0.0259 0.0362 0.0362
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0574 0.1098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Leishmania major phosphatidylinositol 3-kinase, putative 0.0259 0.0362 0.1022
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.057 0.0962
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0216 0.0262 0.0751
Echinococcus multilocularis expressed protein 0.0451 0.081 0.081
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2958 0.6666 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0216 0.0262 0.239
Loa Loa (eye worm) hypothetical protein 0.0236 0.0308 0.0519
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.16 0.3494 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0348 0.057 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Schistosoma mansoni fkbp-rapamycin associated protein 0.0216 0.0262 0.0394
Loa Loa (eye worm) hypothetical protein 0.1057 0.2226 0.3753
Brugia malayi MH2 domain containing protein 0.0144 0.0094 0.027
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0259 0.0362 0.1037
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0062 0.6454
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0259 0.0362 0.1037
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0262 0.0751
Leishmania major hypothetical protein, conserved 0.1621 0.3545 1
Giardia lamblia GTOR 0.0348 0.057 0.3496
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0216 0.0262 0.0751
Entamoeba histolytica hypothetical protein 0.1285 0.2759 0.7895
Echinococcus granulosus serine protein kinase ATM 0.0216 0.0262 0.0262
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0096 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0348 0.057 0.057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1057 0.2226 0.6369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Entamoeba histolytica protein kinase rad3, putative 0.0216 0.0262 0.0751
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0112 0.002 0.0057
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0348 0.057 0.1609
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0132 0.0065 0.0065
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0348 0.057 0.1609
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0419 0.0735 0.4509
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0574 0.1098 0.3142
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0259 0.0362 0.1037
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0216 0.0262 0.0262
Mycobacterium tuberculosis Probable reductase 0.013 0.0062 0.6454
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0262 0.0751
Loa Loa (eye worm) phosphatidylinositol 3 0.2643 0.5931 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0574 0.1098 0.3142
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0259 0.0362 0.0362
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0216 0.0262 0.0394
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0348 0.057 0.5194
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0259 0.0362 0.0362
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0236 0.0308 0.2804
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0259 0.0362 0.0544
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.16 0.3494 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0348 0.057 0.057
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0062 0.6454
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0259 0.0362 0.0611
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.1057 0.2226 0.2226
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0348 0.057 0.1632
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0348 0.057 0.1632
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0348 0.057 0.5194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0348 0.057 0.5194
Schistosoma mansoni hypothetical protein 0.0132 0.0065 0.0098
Echinococcus multilocularis serine protein kinase ATM 0.0216 0.0262 0.0262
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.2958 0.6666 0.6666
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0096 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0259 0.0362 0.1022
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.002 0.0057
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Toxoplasma gondii FATC domain-containing protein 0.0216 0.0262 0.4601
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0062 0.6454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.16 0.3494 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0062 0.6454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0096 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0216 0.0262 0.0751
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0062 0.6454
Trypanosoma cruzi hypothetical protein, conserved 0.1518 0.3303 0.9451
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.0065 0.0187
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0742 0.149 0.4265
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0262 0.0751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0574 0.1098 0.3142
Brugia malayi FAT domain containing protein 0.0132 0.0065 0.0187
Loa Loa (eye worm) hypothetical protein 0.0543 0.1026 0.173
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0348 0.057 0.1632
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0574 0.1098 0.1647
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.16 0.3494 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1117 0.2367 0.6773
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0348 0.057 0.1632
Onchocerca volvulus 0.0104 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0259 0.0362 0.0544
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0348 0.057 0.1609
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0259 0.0362 1
Onchocerca volvulus 0.0104 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0236 0.0308 0.0881
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0094 0.0159
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0259 0.0362 0.1037
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.16 0.3494 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.16 0.3494 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0348 0.057 0.1632
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.16 0.3494 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0348 0.057 0.0856
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0259 0.0362 0.6356
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.002 0.0057
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0348 0.057 0.1609
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1285 0.2759 0.7895
Toxoplasma gondii target of rapamycin (TOR), putative 0.0348 0.057 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0574 0.1098 0.3142
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0574 0.1098 0.3142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.057 0.1632
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0574 0.1098 0.3142

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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