Detailed information for compound 1432937

Basic information

Technical information
  • TDR Targets ID: 1432937
  • Name: 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromet hyl)pyridin-2-yl]sulfanyl-N-(2-fluorophenyl)a cetamide
  • MW: 445.433 | Formula: C22H15F4N3OS
  • H donors: 1 H acceptors: 3 LogP: 5.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(SCC(=O)Nc2ccccc2F)nc(cc1C(F)(F)F)c1ccc(cc1)C
  • InChi: 1S/C22H15F4N3OS/c1-13-6-8-14(9-7-13)19-10-16(22(24,25)26)15(11-27)21(29-19)31-12-20(30)28-18-5-3-2-4-17(18)23/h2-10H,12H2,1H3,(H,28,30)
  • InChiKey: CCGAUSVHRSOZDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(2-fluorophenyl)acetamide
  • 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]-N-(2-fluorophenyl)acetamide
  • 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide
  • NCGC00101050-01
  • EU-0050346

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax 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
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase 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
Toxoplasma gondii thioredoxin 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
Trypanosoma congolense 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana trypanothione 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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 cruzi trypanothione 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.2926 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.6371 0.8468
Leishmania major trypanothione reductase 0.0046 0.1326 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2577 0.8808
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1233 0.5
Schistosoma mansoni coup transcription factor 0.0064 0.2926 0.2926
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.1071
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1233 0.4212
Plasmodium falciparum thioredoxin reductase 0.0046 0.1326 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1233 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.2926 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1233 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.6371 0.8468
Onchocerca volvulus Bile acid receptor homolog 0.0064 0.2926 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0064 0.2926 0.2926
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0064 0.2926 0.2926
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2577 0.8808
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0064 0.2926 1
Echinococcus granulosus FTZ F1 alpha 0.0064 0.2926 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.1071
Loa Loa (eye worm) inositol-1 0.0045 0.1233 0.4212
Brugia malayi photoreceptor-specific nuclear receptor 0.0064 0.2926 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1233 0.4212
Echinococcus multilocularis thyroid hormone receptor alpha 0.0064 0.2926 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.6371 0.8468
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.2926 1
Plasmodium falciparum glutathione reductase 0.0046 0.1326 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.6371 0.8468
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 0.2926 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0034 0.0313 0.1071
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0064 0.2926 0.2926
Mycobacterium tuberculosis Probable reductase 0.0104 0.6371 0.8468
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0064 0.2926 0.2926
Loa Loa (eye worm) hypothetical protein 0.0041 0.0935 0.3196
Schistosoma mansoni retinoic acid receptor RXR 0.0064 0.2926 0.2926
Schistosoma mansoni thyroid hormone receptor 0.0064 0.2926 0.2926
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 0.2926 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.2926 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7374 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.1326 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 0.2926 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.2926 0.2926
Schistosoma mansoni nuclear hormone receptor 0.0064 0.2926 0.2926
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2577 0.8808
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0034 0.0313 0.0313
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0313 0.0313
Brugia malayi Inositol-1 0.0045 0.1233 0.4212
Brugia malayi nuclear hormone receptor 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.1326 0.453
Trypanosoma brucei trypanothione reductase 0.0046 0.1326 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 0.2926 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0064 0.2926 0.2926
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0313 0.1071
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.6371 0.8468
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1326 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 0.2926 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0034 0.0313 0.1071
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7374 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Brugia malayi Thioredoxin reductase 0.0046 0.1326 0.453
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1326 0.0758
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 0.2926 1
Echinococcus multilocularis FTZ F1 alpha 0.0064 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 0.2926 1
Brugia malayi hypothetical protein 0.0034 0.0313 0.1071
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.1071
Echinococcus multilocularis ecdysone induced protein 78C 0.0064 0.2926 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.1326 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0064 0.2926 0.2926
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0313 0.1071
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7374 1
Echinococcus granulosus ecdysone induced protein 78C 0.0064 0.2926 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0064 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 0.2926 1
Schistosoma mansoni thyroid hormone receptor 0.0064 0.2926 0.2926
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.2926 1
Loa Loa (eye worm) steroid hormone receptor 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.2926 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0064 0.2926 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1378 0.471
Schistosoma mansoni steroid hormone receptor ad4bp 0.0064 0.2926 0.2926
Brugia malayi glutathione reductase 0.0046 0.1326 0.453
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1326 0.453
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.6371 0.8468
Onchocerca volvulus 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 0.2926 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0935 0.3196
Loa Loa (eye worm) hypothetical protein 0.0064 0.2926 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0064 0.2926 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0034 0.0313 0.1071
Schistosoma mansoni inositol monophosphatase 0.0045 0.1233 0.1233
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1233 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1326 1
Brugia malayi steroid hormone receptor 0.0064 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0313 0.1071
Schistosoma mansoni inositol monophosphatase 0.0045 0.1233 0.1233
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2577 0.8808
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.2926 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.1233 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0064 0.2926 1
Brugia malayi hypothetical protein 0.0034 0.0313 0.1071
Schistosoma mansoni hypothetical protein 0.0041 0.0935 0.0935
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0064 0.2926 1
Brugia malayi nuclear receptor RXR 0.0034 0.0313 0.1071
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 0.2926 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7374 1
Brugia malayi nuclear receptor NHR-88 0.0064 0.2926 1
Brugia malayi ecdysteroid receptor 0.0064 0.2926 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0064 0.2926 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1233 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.2926 1
Brugia malayi Steroid receptor seven-up type 2 0.0064 0.2926 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1378 0.471

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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 (binding) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 6.3096 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) 7.0795 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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