Detailed information for compound 1422495

Basic information

Technical information
  • TDR Targets ID: 1422495
  • Name: N-(4-bromophenyl)-3-[4-thiophen-2-yl-6-(trifl uoromethyl)pyrimidin-2-yl]sulfonylpropanamide
  • MW: 520.343 | Formula: C18H13BrF3N3O3S2
  • H donors: 1 H acceptors: 5 LogP: 3.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1ccc(cc1)Br)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c1cccs1
  • InChi: 1S/C18H13BrF3N3O3S2/c19-11-3-5-12(6-4-11)23-16(26)7-9-30(27,28)17-24-13(14-2-1-8-29-14)10-15(25-17)18(20,21)22/h1-6,8,10H,7,9H2,(H,23,26)
  • InChiKey: MDGXWVLZIHZDCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-bromophenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide
  • N-(4-bromophenyl)-3-[[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide
  • N-(4-bromophenyl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide
  • N-(4-bromophenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide
  • C071-0177
  • NCGC00103929-01
  • STK340259

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei 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
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii thioredoxin 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
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
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
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi 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
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum 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 FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium knowlesi glutathione reductase, 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
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum glutathione reductase 0.0046 0.0761 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.1375 0.4336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.006 0.0617
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.006 0.0617
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1131 0.2663
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0275 0.2805
Loa Loa (eye worm) hypothetical protein 0.0027 0.0275 0.0512
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0814 0.193
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0027 0.0275 0.0867
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.006 0.0191
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.014 0.317 0.752
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.098 0.3091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0697 0.7111
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0064 0.1222 0.3855
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0814 0.193
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.255 1
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0275 0.3612
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0082 0.0082
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.1375 0.3261
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0251 0.0791
Brugia malayi prolyl oligopeptidase family protein 0.014 0.317 0.7461
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Echinococcus granulosus GPCR family 2 0.0019 0.0082 0.0082
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.006 0.0191
Toxoplasma gondii hypothetical protein 0.0027 0.0275 0.0867
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.006 0.0191
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0814 0.0814
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.098 0.2307
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.014 0.317 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.4249 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0342 0.3494
Onchocerca volvulus 0.0182 0.4249 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0342 0.3494
Brugia malayi prolyl oligopeptidase family protein 0.0181 0.4216 0.9922
Brugia malayi prolyl oligopeptidase family protein 0.007 0.1375 0.3235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0415 0.4234
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.255 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.1375 0.4336
Loa Loa (eye worm) glutathione reductase 0.0046 0.0761 0.1673
Echinococcus multilocularis acylamino acid releasing enzyme 0.0027 0.0275 0.0275
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.006 0.0191
Trypanosoma cruzi target of rapamycin kinase 3 0.0043 0.0698 0.2202
Trypanosoma brucei trypanothione reductase 0.0046 0.0761 0.2401
Trypanosoma brucei prolyl endopeptidase 0.014 0.317 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0023 0.0171 0.054
Echinococcus granulosus acylamino acid releasing enzyme 0.0027 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0041 0.0646 0.1397
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.006 0.0142
Trypanosoma cruzi prolyl endopeptidase 0.014 0.317 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0064 0.1222 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0027 0.0275 0.2805
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0777 0.0777
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0082 0.0082
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.006 0.006
Plasmodium falciparum peptidase, putative 0.0027 0.0275 0.3612
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Trypanosoma brucei prolyl oligopeptidase, putative 0.0064 0.1222 0.3855
Echinococcus multilocularis prolyl endopeptidase 0.014 0.317 0.317
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0814 0.0814
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2253 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0761 0.2985
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.098 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2253 0.8837
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.098 0.2325
Schistosoma mansoni hypothetical protein 0.0019 0.0082 0.0195
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.1375 0.1375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0697 0.7111
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0064 0.1222 0.3855
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.006 0.0143
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0423 0.4318
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.0626 0.1973
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2253 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.006 0.0617
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.255 1
Giardia lamblia GTOR 0.0054 0.098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Toxoplasma gondii thioredoxin reductase 0.0046 0.0761 0.2401
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2253 0.8837
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.098 0.3091
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1119 0.2655
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0761 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.098 0.2196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0495 0.5047
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0027 0.0275 0.0867
Plasmodium falciparum thioredoxin reductase 0.0046 0.0761 1
Brugia malayi glutathione reductase 0.0046 0.0761 0.1791
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.098 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.1375 0.1375
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.1375 0.4336
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.1375 0.4336
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.006 0.0191
Leishmania major oligopeptidase b 0.0064 0.1222 0.3855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0778 0.7936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0344 0.3505
Brugia malayi hypothetical protein 0.0043 0.0696 0.1639
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.098 0.3091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0697 0.7111
Toxoplasma gondii prolyl endopeptidase 0.014 0.317 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.1375 0.4336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0344 0.3505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.006 0.0617
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.098 0.3091
Trypanosoma cruzi oligopeptidase b 0.0064 0.1222 0.3855
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.098 1
Schistosoma mansoni hypothetical protein 0.0019 0.0082 0.0195
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Trypanosoma brucei oligopeptidase b 0.0064 0.1222 0.3855
Loa Loa (eye worm) hypothetical protein 0.0027 0.0275 0.0512
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.2492 0.9773
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0777 0.0777
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0064 0.1222 0.3855
Loa Loa (eye worm) prolyl oligopeptidase 0.0181 0.4216 0.9921
Brugia malayi Thioredoxin reductase 0.0046 0.0761 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.098 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0646 0.152
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0275 0.2805
Loa Loa (eye worm) hypothetical protein 0.006 0.1131 0.2557
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.2253 0.7767
Echinococcus granulosus prolyl endopeptidase 0.014 0.317 0.317
Loa Loa (eye worm) hypothetical protein 0.006 0.1119 0.2528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0415 0.4234
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0275 0.0647
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0082 0.0193
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0181 0.4216 0.4216
Brugia malayi hypothetical protein 0.0182 0.4249 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0181 0.4216 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0342 0.3494
Plasmodium vivax glutathione reductase, putative 0.0046 0.0761 1
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0275 0.0647
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0275 0.2805
Trypanosoma cruzi oligopeptidase b 0.0064 0.1222 0.3855
Loa Loa (eye worm) hypothetical protein 0.0019 0.0082 0.0052
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0181 0.4216 0.9895
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0761 0.2401
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.006 0.0191
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0082 0.0082
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3272 0.7668
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0814 0.1798
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.0698 0.2202
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.255 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0626 0.6382
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.1375 0.4336
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0043 0.0698 0.2202
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0064 0.1222 0.4793
Giardia lamblia Alanyl dipeptidyl peptidase 0.0027 0.0275 0.2805
Loa Loa (eye worm) hypothetical protein 0.014 0.317 0.7425
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0027 0.0275 0.0652
Onchocerca volvulus Prolyl endopeptidase homolog 0.014 0.317 0.6553
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1131 0.2557
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0525 0.5352
Loa Loa (eye worm) prolyl oligopeptidase 0.0027 0.0275 0.0512
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2253 0.8837
Mycobacterium tuberculosis Probable reductase 0.0104 0.2253 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0344 0.3505
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0181 0.4216 0.4216
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0275 0.0867
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0814 0.193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0814 0.0814
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0082 0.0082
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0761 0.1673
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1131 0.2663
Mycobacterium tuberculosis Probable peptidase 0.0064 0.1222 0.4793
Leishmania major trypanothione reductase 0.0046 0.0761 0.2401
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.098 0.098
Echinococcus multilocularis GPCR, family 2 0.0019 0.0082 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0275 0.0867
Schistosoma mansoni hypothetical protein 0.0019 0.0082 0.0195
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0064 0.1222 0.3855
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0275 0.0652
Schistosoma mansoni hypothetical protein 0.0041 0.0646 0.1531
Schistosoma mansoni hypothetical protein 0.0019 0.0082 0.0195
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0814 0.1915
Brugia malayi MH2 domain containing protein 0.0144 0.3272 0.7701
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.006 0.006
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.014 0.317 0.752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0814 0.0814
Treponema pallidum NADH oxidase 0.0016 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.006 0.0617
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.098 0.3091
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0082 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0697 0.7111
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0082 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0697 0.7111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0344 0.3505
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3272 0.7668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0423 0.4318
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.098 0.3091
Loa Loa (eye worm) hypothetical protein 0.0043 0.0696 0.1518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0423 0.4318
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.098 0.098

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 8.2604 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Beta-Lactamase Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.