Detailed information for compound 1422724

Basic information

Technical information
  • TDR Targets ID: 1422724
  • Name: 1-(3-methoxypropyl)-3-(3-methylsulfanylphenyl )thiourea
  • MW: 270.414 | Formula: C12H18N2OS2
  • H donors: 1 H acceptors: 0 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCN=C(Nc1cccc(c1)SC)S
  • InChi: 1S/C12H18N2OS2/c1-15-8-4-7-13-12(16)14-10-5-3-6-11(9-10)17-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,13,14,16)
  • InChiKey: ZMRKWWGSTJDZNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-methoxypropyl)-3-[3-(methylthio)phenyl]thiourea
  • ZINC03131650
  • RDR 00269
  • MLS000861096
  • N-(3-methoxypropyl)-N'-[3-(methylthio)phenyl]thiourea
  • SMR000459880

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva thioredoxin 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
Plasmodium vivax glutathione reductase, putative 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Plasmodium vivax thioredoxin reductase, putative 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
Cryptosporidium parvum thioredoxin reductase 1 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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
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
Plasmodium yoelii glutathione 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
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 cruzi trypanothione 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
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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0411 0.0422
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0661 0.0454
Schistosoma mansoni importin beta-1 0.0028 0.0482 0.0259
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0245 0.7837 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0661 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0259 0.0113
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0661 0.1677
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0301 0.0278
Loa Loa (eye worm) hypothetical protein 0.0072 0.1963 0.2015
Echinococcus granulosus chromobox protein 1 0.0067 0.1815 0.1667
Loa Loa (eye worm) hypothetical protein 0.003 0.0531 0.0546
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0654 0.2114
Loa Loa (eye worm) hypothetical protein 0.0033 0.0654 0.0671
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0482 0.0982
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0661 1
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1815 1
Schistosoma mansoni hypothetical protein 0.0033 0.0654 0.0434
Schistosoma mansoni hypothetical protein 0.0186 0.5838 0.5741
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0301 0.0452
Plasmodium falciparum thioredoxin reductase 0.0097 0.2803 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0434 0.129
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0482 0.0982
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0259 0.0031
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0661 0.2723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1309 0.1105
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0259 0.0674
Plasmodium falciparum glutathione reductase 0.0033 0.0661 0.1677
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.3091 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0809 0.083
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0661 0.1677
Plasmodium vivax glutathione reductase, putative 0.0097 0.2803 1
Echinococcus granulosus chromobox protein 1 0.0067 0.1815 0.1667
Schistosoma mansoni hypothetical protein 0.0072 0.1963 0.1774
Echinococcus granulosus GPCR family 2 0.0033 0.0654 0.0446
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0245 0.7837 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Brugia malayi glutathione reductase 0.0097 0.2803 0.9068
Schistosoma mansoni hypothetical protein 0.0035 0.0719 0.0501
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0301 0.0452
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0661 0.1677
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.2824 0.2728
Entamoeba histolytica hypothetical protein 0.0035 0.0719 1
Plasmodium falciparum glutathione reductase 0.0097 0.2803 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0259 0.0265
Loa Loa (eye worm) glutathione reductase 0.0097 0.2803 0.2878
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0661 0.1677
Trypanosoma brucei trypanothione reductase 0.0097 0.2803 1
Brugia malayi hypothetical protein 0.0035 0.0719 0.2326
Schistosoma mansoni ap endonuclease 0.0022 0.0259 0.003
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0259 0.0594
Mycobacterium tuberculosis Probable oxidoreductase 0.0245 0.7837 1
Echinococcus granulosus lamin dm0 0.0026 0.0411 0.0191
Echinococcus granulosus intermediate filament protein 0.0026 0.0411 0.0191
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.9741 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0719 0.0515
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0719 0.0515
Loa Loa (eye worm) hypothetical protein 0.0026 0.0395 0.0406
Brugia malayi chromobox protein homolog 3 0.0038 0.0809 0.2616
Leishmania major importin beta-1 subunit, putative 0.0023 0.0301 0.0278
Echinococcus multilocularis chromobox protein 1 0.0067 0.1815 0.1667
Schistosoma mansoni chromobox protein 0.0067 0.1815 0.1623
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0411 0.0422
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1309 0.1135
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0809 0.803
Schistosoma mansoni hypothetical protein 0.0033 0.0654 0.0434
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Entamoeba histolytica hypothetical protein 0.0023 0.0301 0.1464
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.2803 0.3358
Schistosoma mansoni lamin 0.0026 0.0411 0.0186
Mycobacterium tuberculosis Putative ferredoxin reductase 0.022 0.7003 0.8899
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1309 0.1135
Toxoplasma gondii exonuclease III APE 0.0022 0.0259 0.0113
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0906 0.4268
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0661 0.1677
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0259 0.0113
Toxoplasma gondii thioredoxin reductase 0.0097 0.2803 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0654 0.0446
Brugia malayi Thioredoxin reductase 0.0097 0.2803 0.9068
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0661 0.0442
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0809 0.3653
Echinococcus multilocularis GPCR, family 2 0.0033 0.0654 0.0446
Echinococcus multilocularis lamin dm0 0.0026 0.0411 0.0191
Schistosoma mansoni chromobox protein 0.0067 0.1815 0.1623
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0654 0.0446
Schistosoma mansoni hypothetical protein 0.0033 0.0654 0.0434
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1963 0.635
Onchocerca volvulus 0.003 0.0531 0.2424
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.022 0.7003 0.8899
Echinococcus granulosus importin subunit beta 1 0.0028 0.0482 0.0266
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0661 0.2139
Brugia malayi Heterochromatin protein 1 0.0067 0.1815 0.587
Schistosoma mansoni lamin 0.0026 0.0411 0.0186
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0661 1
Echinococcus granulosus snurportin 1 0.0301 0.9741 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0661 0.1677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1309 0.1105
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0482 0.0266
Schistosoma mansoni hypothetical protein 0.0033 0.0654 0.0434
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0259 0.0113
Schistosoma mansoni hypothetical protein 0.0301 0.9741 0.9735
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0661 0.1677
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0654 0.0671
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.3091 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1309 0.1135
Plasmodium vivax importin-beta 2, putative 0.0028 0.0482 0.0982
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0661 0.1677
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.036 0.1163
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0906 0.4268
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0661 0.0454
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0661 0.1677
Mycobacterium tuberculosis Probable reductase 0.022 0.7003 0.8899
Schistosoma mansoni hypothetical protein 0.0186 0.5838 0.5741
Brugia malayi RNA, U transporter 1 0.008 0.2246 0.7266
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0654 0.0446
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.2803 1
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.2803 0.2878
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.022 0.7003 0.8899
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0661 0.1677
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1815 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0411 0.0422
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.023 0.0236
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1309 0.1105
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0259 0.0183
Echinococcus granulosus lamin 0.0026 0.0411 0.0191
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.036 0.1163
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0661 0.1677
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0259 0.0183
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0482 0.0982
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0661 0.1677
Loa Loa (eye worm) hypothetical protein 0.0105 0.3091 0.3174
Loa Loa (eye worm) hypothetical protein 0.0028 0.0482 0.0495
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.3091 0.3174
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0259 0.0113
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0661 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0434 0.129
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0906 1
Echinococcus multilocularis snurportin 1 0.0301 0.9741 1
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0661 0.1677
Treponema pallidum NADH oxidase 0.0033 0.0661 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Plasmodium falciparum thioredoxin reductase 0.0033 0.0661 0.1677
Entamoeba histolytica hypothetical protein 0.0035 0.0719 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0661 0.1677
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1309 0.1344
Entamoeba histolytica hypothetical protein 0.0035 0.0719 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0411 0.1331
Echinococcus multilocularis geminin 0.0186 0.5838 0.5897
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0259 0.0113
Echinococcus multilocularis lamin 0.0026 0.0411 0.0191
Plasmodium falciparum importin beta, putative 0.0028 0.0482 0.0982
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.023 0.0742
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0719 0.0501
Echinococcus granulosus geminin 0.0186 0.5838 0.5897
Mycobacterium tuberculosis Probable dehydrogenase 0.022 0.7003 0.8899
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0809 0.3653
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.1815 0.1863
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0661 0.1677
Brugia malayi intermediate filament protein 0.0026 0.0411 0.1331
Leishmania major trypanothione reductase 0.0097 0.2803 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0661 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0661 1
Entamoeba histolytica hypothetical protein 0.0035 0.0719 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0661 0.0531
Echinococcus multilocularis chromobox protein 1 0.0067 0.1815 0.1667
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0661 0.1677
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.022 0.7003 0.8899
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0661 0.2723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1309 0.1135
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0654 0.2114
Schistosoma mansoni ap endonuclease 0.0022 0.0259 0.003
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0245 0.7837 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0259 0.0113
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.2803 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0411 0.0186
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0654 0.0446
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0259 0.0031
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.2824 0.2728
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1309 0.4234
Brugia malayi Importin beta-1 subunit 0.0028 0.0482 0.156
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0661 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0301 0.0452
Echinococcus multilocularis musashi 0.0026 0.0411 0.0191
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0259 0.0836

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) = 17.7828 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

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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