Detailed information for compound 1425158

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.577 | Formula: C29H24N2O3S
  • H donors: 0 H acceptors: 1 LogP: 6.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)c1ccc2c(c1)c(C#Cc1cscc1)c(n2C)c1cc(OC)cc(c1)OC
  • InChi: 1S/C29H24N2O3S/c1-31-27-9-6-20(21-7-10-28(34-4)30-17-21)15-26(27)25(8-5-19-11-12-35-18-19)29(31)22-13-23(32-2)16-24(14-22)33-3/h6-7,9-18H,1-4H3
  • InChiKey: ZIKUFZBVGAATSU-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
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
Plasmodium berghei 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
Leishmania braziliensis 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
Loa Loa (eye worm) thioredoxin 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
Leishmania donovani trypanothione 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
Toxoplasma gondii thioredoxin 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
Plasmodium falciparum glutathione reductase 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
Babesia bovis thiodoxin 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
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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Brugia malayi glutathione 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
Plasmodium yoelii thioredoxin reductase 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
Trypanosoma brucei gambiense trypanothione 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
Plasmodium knowlesi glutathione reductase, putative 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 yoelii 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
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
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania infantum 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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania donovani 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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0813 0.1704
Brugia malayi hypothetical protein 0.0026 0.0931 0.1952
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0555 0.1162
Toxoplasma gondii thioredoxin reductase 0.0057 0.2726 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.1006 0.127
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0661 0.3983
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0039 0.1659 0.2105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0249 0.0521
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0555 0.2034
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.1006 0.6065
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0931 0.3416
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0555 0.2034
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2726 0.5713
Schistosoma mansoni hypothetical protein 0.0012 0.0089 0.0089
Mycobacterium ulcerans polyketide synthase 0.0028 0.1006 0.6065
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0555 0.2034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.4771 0.4771
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6983 0.8918
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7829 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.0912 0.1165
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.0912 0.1165
Plasmodium falciparum thioredoxin reductase 0.0057 0.2726 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0931 0.3416
Plasmodium falciparum thioredoxin reductase 0.002 0.0555 0.2034
Leishmania major trypanothione reductase 0.0057 0.2726 1
Onchocerca volvulus Fatty acid synthase homolog 0.0047 0.2124 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0931 0.3416
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0912 0.115
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0912 0.55
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0017 0.0401 0.0512
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0555 0.2034
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.6983 0.892
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0049 0.2264 0.4745
Leishmania major hypothetical protein, conserved 0.0026 0.0931 0.1735
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.1006 0.6065
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.1006 0.127
Mycobacterium ulcerans thioesterase 0.0022 0.0661 0.3983
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0097 0.0204
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0024 0.0813 0.1704
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0931 0.3416
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0555 0.3343
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.4771 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.4771 1
Plasmodium falciparum glutathione reductase 0.002 0.0555 0.2034
Brugia malayi glutathione reductase 0.0057 0.2726 0.5713
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0617 0.3722
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0382 0.1402
Mycobacterium leprae Polyketide synthase Pks13 0.0039 0.1659 0.2119
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6983 0.8918
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.1006 0.127
Plasmodium vivax glutathione reductase, putative 0.0057 0.2726 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2726 0.3471
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0555 0.2034
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.0912 0.1912
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0555 0.2034
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0912 0.115
Loa Loa (eye worm) glutathione reductase 0.0057 0.2726 0.5713
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0089 0.0186
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6983 0.8918
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0637 0.0798
Mycobacterium ulcerans polyketide synthase Pks9 0.0017 0.0401 0.2418
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0555 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0089 0.0186
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0555 0.2034
Mycobacterium ulcerans polyketide synthase Pks13 0.0039 0.1659 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0555 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0555 0.3343
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.1006 0.3691
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0555 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1939 0.4063
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0555 0.1162
Mycobacterium tuberculosis Probable reductase 0.013 0.6983 0.8918
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0555 0.2034
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0555 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.1006 0.1285
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0661 0.0828
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.1006 0.1285
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.4771 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0912 0.55
Trypanosoma brucei trypanothione reductase 0.0057 0.2726 1
Onchocerca volvulus 0.0024 0.0813 0.3829
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0249 0.0522
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0555 0.2034
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2726 0.5713
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.4771 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.0912 0.55
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0025 0.0866 0.1091
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0249 0.0522
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0024 0.0813 0.1023
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0555 0.2034
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0025 0.0866 0.1091
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.1006 0.1285
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.0912 0.115
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0487 0.0606
Plasmodium falciparum glutathione reductase 0.0057 0.2726 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0931 0.3416
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0555 0.0555
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0931 0.3416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.4771 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6983 0.8918
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0931 0.3416
Brugia malayi Thioredoxin reductase 0.0057 0.2726 0.5713
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2726 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0555 0.1162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.4771 0.4771
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0039 0.1659 0.2105
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2726 0.5713
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0661 0.0844
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0555 0.0692
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0555 1
Loa Loa (eye worm) fatty acid synthase 0.0026 0.0892 0.187
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7829 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0555 0.3343
Treponema pallidum NADH oxidase 0.002 0.0555 1
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2726 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0261 0.0317
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7829 1
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0555 0.2034
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0555 0.2034
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0555 0.2034
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.0912 0.55
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7829 1
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0555 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0013 0.0166 0.0609
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0477 0.1752
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0617 0.0789
Loa Loa (eye worm) hypothetical protein 0.0026 0.0931 0.1952
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0017 0.0401 0.2418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.4771 0.4771
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6983 0.8918
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0617 0.3722
Onchocerca volvulus 0.0045 0.203 0.9559
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.4771 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0555 0.2034
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.0912 0.55
Brugia malayi hypothetical protein 0.0017 0.039 0.0817

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 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) 4.1475 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) 15.8489 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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) 29.0929 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) 32.6427 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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
Potency (functional) 100 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) 251.1886 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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.
 
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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