Detailed information for compound 1323173

Basic information

Technical information
  • TDR Targets ID: 1323173
  • Name: N-(3-fluorophenyl)-2-[2-(3-methylphenyl)-5-ox o-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]aceta mide
  • MW: 427.43 | Formula: C24H18FN5O2
  • H donors: 1 H acceptors: 4 LogP: 4.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)NC(=O)Cn1c2ccccc2c2n(c1=O)nc(n2)c1cccc(c1)C
  • InChi: 1S/C24H18FN5O2/c1-15-6-4-7-16(12-15)22-27-23-19-10-2-3-11-20(19)29(24(32)30(23)28-22)14-21(31)26-18-9-5-8-17(25)13-18/h2-13H,14H2,1H3,(H,26,31)
  • InChiKey: YEXWQWLUODEZEW-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-fluorophenyl)-2-[5-keto-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetamide
  • N-(3-fluorophenyl)-2-[2-(3-methylphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]ethanamide
  • G860-0069
  • NCGC00137410-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax thioredoxin 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Leishmania major trypanothione 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus thioredoxin glutathione 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
Loa Loa (eye worm) thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
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 %
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 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 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 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus serotonin transporter 0.0151 0.0227 0.1515
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0059 0.1716
Loa Loa (eye worm) hypothetical protein 0.0151 0.0227 0.6803
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0739 0.1324 0.132
Plasmodium falciparum thioredoxin reductase 0.0057 0.0053 0.2179
Plasmodium falciparum cysteine--tRNA ligase 0.0079 0.0093 0.3983
Schistosoma mansoni sodium/chloride dependent transporter 0.0151 0.0227 0.1503
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0059 0.0055
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0053 0.2179
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0002 0.0014
Echinococcus granulosus dihydrofolate reductase 0.0044 0.0028 0.0186
Onchocerca volvulus 0.0107 0.0146 0.3748
Echinococcus granulosus thymidylate synthase 0.0107 0.0146 0.0974
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0281 0.047 1
Brugia malayi glutathione reductase 0.0057 0.0053 0.1541
Treponema pallidum sodium- and chloride- dependent transporter 0.0151 0.0227 0.3552
Brugia malayi Thioredoxin reductase 0.0057 0.0053 0.1541
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0151 0.0227 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0189 0.0176
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0079 0.0093 0.0609
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0089 0.0582
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0739 0.1324 0.1312
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0189 0.0176
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0044 0.0028 0.0014
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0059 0.0055
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0079 0.0093 0.2756
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0053 0.1541
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0125 0.018 0.0166
Chlamydia trachomatis cysteine--tRNA ligase 0.0079 0.0093 0.1476
Plasmodium falciparum cysteine--tRNA ligase 0.0079 0.0093 0.3983
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5395 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0227 0.6803
Mycobacterium tuberculosis Probable reductase 0.013 0.0189 0.0176
Echinococcus granulosus cysteinyl tRNA synthetase 0.0079 0.0093 0.0622
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0739 0.1324 0.1312
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1499 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0093 0.2756
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1499 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0059 0.0383
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0107 0.0146 0.0962
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0031 0.0004 0.003
Brugia malayi TAR-binding protein 0.0076 0.0089 0.2633
Loa Loa (eye worm) hypothetical protein 0.0031 0.0004 0.0073
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0079 0.0093 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0051 0.0042 0.1662
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.0333 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0053 0.2263
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0059 0.2542
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0031 0.0004 0.0073
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0059 0.0045
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0059 0.0383
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0031 0.0004 0.0107
Giardia lamblia Cysteinyl-tRNA synthetase 0.0079 0.0093 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5395 1 1
Brugia malayi RNA binding protein 0.0076 0.0089 0.2633
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0089 0.2633
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0079 0.0093 0.0609
Loa Loa (eye worm) solute carrier family 6 member 4 0.0151 0.0227 0.6803
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0189 0.0176
Loa Loa (eye worm) dihydrofolate reductase 0.0044 0.0028 0.0783
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0079 0.0093 0.4047
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0089 0.0582
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0151 0.0227 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0151 0.0227 1
Echinococcus multilocularis thymidylate synthase 0.0107 0.0146 0.0962
Onchocerca volvulus 0.0236 0.0386 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0079 0.0093 0.3983
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1499 1
Mycobacterium ulcerans glycosyltransferase 0.0036 0.0014 0.001
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0031 0.0004 0.0016
Loa Loa (eye worm) norepinephrine transporter 0.0151 0.0227 0.6803
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0189 0.0176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0059 0.1716
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0216 0.0203
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0151 0.0227 0.1503
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0151 0.0227 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0089 0.2633
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0107 0.0146 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0089 0.0582
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0059 0.0383
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0023 0.0643
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0125 0.018 0.0166
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0053 0.0039
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0053 0.2263
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0031 0.0004 0.0107
Plasmodium falciparum glutathione reductase 0.0057 0.0053 0.2179
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0059 0.1716
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0089 0.2633
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0053 0.0354
Trichomonas vaginalis set domain proteins, putative 0.0236 0.0386 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0059 0.0055
Toxoplasma gondii thioredoxin reductase 0.0057 0.0053 0.2263
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0044 0.0028 0.0024
Onchocerca volvulus 0.0031 0.0004 0.0063
Loa Loa (eye worm) hypothetical protein 0.006 0.0059 0.1716
Onchocerca volvulus 0.0151 0.0227 0.5858
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0031 0.0004 0.0016
Brugia malayi hypothetical protein 0.0051 0.0042 0.1193
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0089 0.0582
Echinococcus multilocularis serotonin transporter 0.0151 0.0227 0.1503
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0079 0.0093 0.2325
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0089 0.0582
Echinococcus granulosus tar DNA binding protein 0.0076 0.0089 0.0595
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0059 0.0396
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0089 0.2633
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0171 0.0265 0.1392
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0216 0.0203
Plasmodium vivax cysteine--tRNA ligase, putative 0.0079 0.0093 0.4047
Loa Loa (eye worm) hypothetical protein 0.0151 0.0227 0.6803
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0171 0.0265 0.4545
Leishmania major cysteinyl-tRNA synthetase, putative 0.0079 0.0093 0.3983
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0142
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0044 0.0028 0.0014
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0171 0.0265 0.026
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0189 0.0176
Brugia malayi Dihydrofolate reductase 0.0044 0.0028 0.0783
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0107 0.0146 0.0132
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0079 0.0093 0.0609
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0151 0.0227 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0189 0.0176
Mycobacterium tuberculosis Hypothetical protein 0.0051 0.0042 0.0028
Echinococcus multilocularis dihydrofolate reductase 0.0044 0.0028 0.0173
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0151 0.0227 1
Brugia malayi thymidylate synthase 0.0107 0.0146 0.4353
Loa Loa (eye worm) serotonin transporter b 0.0151 0.0227 0.6803
Trypanosoma brucei trypanothione reductase 0.0057 0.0053 0.2179
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0171 0.0265 0.535
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0079 0.0093 0.3983
Brugia malayi dihydrofolate reductase family protein 0.0044 0.0028 0.0783
Onchocerca volvulus 0.0079 0.0093 0.2374
Mycobacterium ulcerans thymidylate synthase 0.0107 0.0146 0.0142
Leishmania major trypanothione reductase 0.0057 0.0053 0.2179
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0079 0.0093 0.2756
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0281 0.047 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0023 0.0643
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0089 0.0582
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0079 0.0093 0.3983
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0059 0.2461
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0739 0.1324 1
Schistosoma mansoni dihydrofolate reductase 0.0044 0.0028 0.0173
Loa Loa (eye worm) thymidylate synthase 0.0107 0.0146 0.4353
Brugia malayi Pre-SET motif family protein 0.0207 0.0333 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0031 0.0004 0.0016
Loa Loa (eye worm) glutathione reductase 0.0057 0.0053 0.1541
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0053 0.0341
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0216 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0042 0.097
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0151 0.0227 0.6803
Echinococcus granulosus leucyl tRNA synthetase 0.0079 0.0093 0.0622
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0216 0.0203
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0079 0.0093 0.0089

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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