Detailed information for compound 1385399

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.515 | Formula: C26H26FN5O2
  • H donors: 1 H acceptors: 2 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC1CCCCC1
  • InChi: 1S/C26H26FN5O2/c1-16-6-5-13-31-23(16)30-24-21(26(31)34)14-20(25(33)29-19-7-3-2-4-8-19)22(28)32(24)15-17-9-11-18(27)12-10-17/h5-6,9-14,19,28H,2-4,7-8,15H2,1H3,(H,29,33)
  • InChiKey: IEHGJFDVBAXJAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 mexicana trypanothione reductase 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
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) thioredoxin 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
Brugia malayi 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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi glutathione reductase, putative 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
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
Echinococcus multilocularis thioredoxin 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
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
Brugia malayi Thioredoxin 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 yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum glutathione 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum 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
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii thioredoxin 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
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Leishmania donovani 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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Trypanosoma brucei histone deacetylase 3 0.0377 0.0858 0.7547
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0066 0.0476
Trypanosoma brucei histone deacetylase 2 0.0206 0.0437 0.3769
Schistosoma mansoni histone deacetylase 1 2 3 0.0206 0.0437 0.3786
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0071 0.0517
Loa Loa (eye worm) hypothetical protein 0.019 0.0398 0.3445
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0052 0.0058 0.0513
Plasmodium falciparum thioredoxin reductase 0.0057 0.0071 0.0492
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0044 0.0247
Schistosoma mansoni histone deacetylase hda2 0.0206 0.0437 0.3786
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0287 0.0247
Entamoeba histolytica histone deacetylase, putative 0.0488 0.1131 1
Leishmania major trypanothione reductase 0.0057 0.0071 0.0628
Plasmodium vivax histone deacetylase, putative 0.0206 0.0437 0.3769
Trypanosoma cruzi histone deacetylase, putative 0.0377 0.0858 0.7582
Brugia malayi Thioredoxin reductase 0.0057 0.0071 0.0517
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0071 0.0517
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0845 0.7442
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0251 0.0211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0066 0.0476
Schistosoma mansoni histone deacetylase hda2 0.0396 0.0904 0.797
Echinococcus granulosus histone deacetylase 7 0.0377 0.0858 0.7554
Brugia malayi glutathione reductase 0.0057 0.0071 0.0517
Echinococcus multilocularis histone deacetylase 0.0377 0.0858 0.7554
Trypanosoma brucei UDP-galactose 4-epimerase 0.005 0.0054 0.0335
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Mycobacterium tuberculosis Probable reductase 0.013 0.0251 0.0211
Brugia malayi histone deacetylase 3 (HD3) 0.0488 0.1131 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0046 0.0044 0.0273
Plasmodium vivax histone deacetylase, putative 0.0377 0.0858 0.7547
Trypanosoma brucei histone deacetylase 1 0.0488 0.1131 1
Loa Loa (eye worm) histone deacetylase 3 0.0488 0.1131 1
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0046 0.0044 0.0247
Brugia malayi Importin beta-1 subunit 0.0035 0.0016 0.0027
Leishmania major histone deacetylase, putative 0.0488 0.1131 1
Plasmodium falciparum histone deacetylase, putative 0.0377 0.0858 0.7547
Onchocerca volvulus Histone deacetylase 10 homolog 0.0206 0.0437 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0046 0.0044 0.0273
Toxoplasma gondii histone deacetylase HDAC3 0.0488 0.1131 1
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0046 0.0044 0.0387
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0488 0.1131 1
Brugia malayi Disco-interacting protein 2 homolog 0.0039 0.0026 0.0111
Loa Loa (eye worm) glutathione reductase 0.0057 0.0071 0.0517
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0488 0.1131 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0046 0.0044 0.0273
Echinococcus multilocularis geminin 0.0205 0.0434 0.3764
Echinococcus multilocularis disco interacting protein 2 0.0039 0.0026 0.0111
Loa Loa (eye worm) hypothetical protein 0.0171 0.0352 0.3028
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0071 0.0028
Toxoplasma gondii histone deacetylase HDAC1 0.0377 0.0858 0.7547
Toxoplasma gondii histone deacetylase HDAC4 0.0206 0.0437 0.3769
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0046 0.0044 0.0247
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0052 0.0058 0.0513
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0052 0.0058 0.0513
Brugia malayi Histone deacetylase 1 0.0488 0.1131 1
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0052 0.0058 0.0513
Brugia malayi histone deacetylase 11 0.0206 0.0437 0.3786
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0052 0.0058 0.0401
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4046 0.9887 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0052 0.0058 0.0513
Trypanosoma cruzi histone deacetylase 1, putative 0.0488 0.1131 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0251 0.0211
Loa Loa (eye worm) hypothetical protein 0.0035 0.0016 0.0027
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0488 0.1131 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0176 0.1555
Trypanosoma cruzi histone deacetylase 1, putative 0.0488 0.1131 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0251 0.0208
Plasmodium vivax glutathione reductase, putative 0.0057 0.0071 0.0492
Toxoplasma gondii histone deacetylase HDAC5 0.0206 0.0437 0.3769
Schistosoma mansoni UDP-glucose 4-epimerase 0.0052 0.0058 0.0401
Leishmania major udp-glc 4-epimerase, putative 0.005 0.0054 0.0474
Loa Loa (eye worm) hypothetical protein 0.01 0.0176 0.1456
Echinococcus granulosus histone deacetylase 6 0.0396 0.0904 0.797
Echinococcus granulosus disco interacting protein 2 0.0039 0.0026 0.0111
Echinococcus multilocularis histone deacetylase 7 0.0377 0.0858 0.7554
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0046 0.0044 0.0273
Giardia lamblia Histone deacetylase 0.0488 0.1131 1
Schistosoma mansoni histone deacetylase 0.0488 0.1131 1
Trypanosoma cruzi histone deacetylase, putative 0.0206 0.0437 0.3859
Loa Loa (eye worm) hypothetical protein 0.0039 0.0026 0.0111
Loa Loa (eye worm) hypothetical protein 0.0206 0.0437 0.3786
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0046 0.0044 0.0387
Loa Loa (eye worm) hypothetical protein 0.0488 0.1131 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0066 0.0476
Toxoplasma gondii UDP-glucose 4-epimerase 0.0052 0.0058 0.0375
Toxoplasma gondii histone deacetylase HDAC2 0.0488 0.1131 1
Plasmodium falciparum glutathione reductase 0.0057 0.0071 0.0492
Echinococcus granulosus histone deacetylase 0.0377 0.0858 0.7554
Toxoplasma gondii hypothetical protein 0.0085 0.0139 0.1104
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0046 0.0044 0.0387
Echinococcus granulosus histone deacetylase 6 0.0377 0.0858 0.7554
Schistosoma mansoni hypothetical protein 0.0205 0.0434 0.3764
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0085 0.0139 0.1104
Echinococcus multilocularis histone deacetylase 6 0.0396 0.0904 0.797
Trypanosoma brucei histone deacetylase, putative 0.0377 0.0858 0.7547
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0071 0.0517
Schistosoma mansoni importin beta-1 0.0035 0.0016 0.0027
Echinococcus multilocularis histone deacetylase 1 0.0488 0.1131 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0016 0.0027
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0046 0.0044 0.0387
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0066 0.0476
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0071 0.0492
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0066 0.0476
Leishmania major histone deacetylase, putative 0.0377 0.0858 0.7582
Echinococcus granulosus UDP glucose 4 epimerase 0.0052 0.0058 0.0401
Loa Loa (eye worm) histone deacetylase 11 0.0206 0.0437 0.3786
Loa Loa (eye worm) histone deacetylase 1 0.0488 0.1131 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0066 0.0476
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0052 0.0058 0.0513
Trypanosoma cruzi histone deacetylase, putative 0.0377 0.0858 0.7582
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0066 0.0476
Toxoplasma gondii thioredoxin reductase 0.0057 0.0071 0.0492
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0251 0.0211
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0039 0.0026 0.0111
Echinococcus granulosus histone deacetylase 3 0.0488 0.1131 1
Schistosoma mansoni hypothetical protein 0.0205 0.0434 0.3764
Schistosoma mansoni hypothetical protein 0.0372 0.0845 0.7442
Brugia malayi Histone deacetylase family protein 0.0377 0.0858 0.7554
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0251 0.0211
Onchocerca volvulus 0.0039 0.0026 0.0292
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0287 0.0247
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0071 0.0628
Schistosoma mansoni histone deacetylase 0.0488 0.1131 1
Echinococcus granulosus histone deacetylase 1 0.0488 0.1131 1
Echinococcus multilocularis histone deacetylase 8 0.0206 0.0437 0.3786
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0046 0.0044 0.0273
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0251 0.0211
Schistosoma mansoni histone deacetylase 4 5 0.0377 0.0858 0.7554
Echinococcus multilocularis histone deacetylase 6 0.0377 0.0858 0.7554
Echinococcus granulosus histone deacetylase 6 0.0377 0.0858 0.7554
Loa Loa (eye worm) histone deacetylase 0.0377 0.0858 0.7554
Echinococcus multilocularis histone deacetylase 3 0.0488 0.1131 1
Plasmodium falciparum histone deacetylase 2 0.0377 0.0858 0.7547
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0046 0.0044 0.0387
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0046 0.0044 0.0247
Schistosoma mansoni histone deacetylase 4 5 0.0377 0.0858 0.7554
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0046 0.0044 0.0387
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0287 0.0247
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4092 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.0176 0.1555
Echinococcus granulosus snurportin 1 0.0372 0.0845 0.7442
Giardia lamblia UDP-glucose 4-epimerase 0.005 0.0054 0.009
Leishmania major histone deacetylase, putative 0.0377 0.0858 0.7582
Echinococcus multilocularis histone deacetylase 6 0.0377 0.0858 0.7554
Trypanosoma brucei histone deacetylase 4 0.0377 0.0858 0.7547
Echinococcus granulosus geminin 0.0205 0.0434 0.3764
Leishmania major histone deacetylase, putative 0.0488 0.1131 1
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0052 0.0058 0.0401
Brugia malayi RNA, U transporter 1 0.0099 0.0174 0.144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0066 0.0476
Echinococcus multilocularis snurportin 1 0.0372 0.0845 0.7442
Loa Loa (eye worm) histone deacetylase 7A 0.0377 0.0858 0.7554
Plasmodium falciparum histone deacetylase 1 0.0488 0.1131 1
Plasmodium vivax histone deacetylase 2, putative 0.0377 0.0858 0.7547
Trypanosoma brucei trypanothione reductase 0.0057 0.0071 0.0492
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0287 0.0244
Plasmodium vivax histone deacetylase 1, putative 0.0488 0.1131 1
Trichomonas vaginalis histone deacetylase, putative 0.0488 0.1131 1
Brugia malayi UDP galactose 4'-epimerase 0.0052 0.0058 0.0401
Brugia malayi histone deacetylase 1 (HD1) 0.0488 0.1131 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0016 0.0027
Brugia malayi Histone deacetylase family protein 0.0377 0.0858 0.7554
Trypanosoma cruzi histone deacetylase, putative 0.0206 0.0437 0.3859
Echinococcus granulosus histone deacetylase 8 0.0206 0.0437 0.3786
Trypanosoma cruzi histone deacetylase, putative 0.0377 0.0858 0.7582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0066 0.0476

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 1.1689 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.2995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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