Detailed information for compound 1431512

Basic information

Technical information
  • TDR Targets ID: 1431512
  • Name: N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4- triazol-3-yl)sulfanyl]acetamide
  • MW: 346.354 | Formula: C16H12F2N4OS
  • H donors: 2 H acceptors: 3 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1F)F)CSc1n[nH]c(n1)c1ccccc1
  • InChi: 1S/C16H12F2N4OS/c17-11-6-7-13(12(18)8-11)19-14(23)9-24-16-20-15(21-22-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)(H,20,21,22)
  • InChiKey: BHHBLESYJTZROU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
  • N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • ZINC03550417

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 5, group A, member 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 5, group A, member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K08027 nuclear receptor, subfamily 5, group A, member 2, putative Get druggable targets OG5_131813 All targets in OG5_131813
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus FTZ F1 alpha Get druggable targets OG5_149993 All targets in OG5_149993
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein Get druggable targets OG5_131813 All targets in OG5_131813
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis FTZ F1 alpha Get druggable targets OG5_131813 All targets in OG5_131813
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus FTZ F1 nuclear receptor protein nuclear receptor subfamily 5, group A, member 1 461 aa 460 aa 32.6 %
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein nuclear receptor subfamily 5, group A, member 2 469 aa 431 aa 22.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0402 0.0377
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0367 0.0521
Echinococcus multilocularis abhydrolase domain containing 3 0.0017 0.0254 0.0206
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Mycobacterium ulcerans amidase 0.0052 0.0964 0.1247
Echinococcus multilocularis cpg binding protein 0.0037 0.0655 0.0669
Brugia malayi amidase 0.0428 0.8742 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0402 0.0329
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0402 0.5566
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0402 0.0331
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0428 0.8742 1
Brugia malayi conserved hypotetical protein 0.0012 0.0135 0.0022
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0052 0.0964 0.1247
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0402 0.0377
Loa Loa (eye worm) hypothetical protein 0.0017 0.0254 0.0157
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0402 0.0329
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0402 0.0328
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0402 0.0459
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0017 0.0254 0.0291
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0293 0.595 1
Schistosoma mansoni hypothetical protein 0.0099 0.1936 0.2214
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0135 0.0155
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0614 0.0574
Trypanosoma brucei monoglyceride lipase, putative 0.0293 0.595 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0293 0.595 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0052 0.0964 0.1026
Brugia malayi nuclear receptor NHR-67 0.0012 0.0135 0.0022
Trypanosoma cruzi monoglyceride lipase, putative 0.0293 0.595 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0367 0.0198
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0402 0.0329
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0428 0.8742 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0123 0.244 0.2791
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0367 0.0521
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.0164 0.0187
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0012 0.0135 0.0155
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0402 0.0328
Plasmodium falciparum lysophospholipase, putative 0.0293 0.595 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0367 0.0198
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0135 0.0069
Onchocerca volvulus 0.0035 0.0614 1
Schistosoma mansoni peptidase 0.0017 0.0254 0.0291
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0052 0.0964 0.1247
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0964 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0164 0.0052
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Loa Loa (eye worm) hypothetical protein 0.0017 0.0254 0.0157
Plasmodium vivax PST-A protein 0.0293 0.595 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0135 0.006
Trypanosoma brucei monoglyceride lipase, putative 0.0293 0.595 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0293 0.595 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0135 0.0069
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0012 0.0135 0.0022
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0164 0.0055
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0402 0.0459
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0254 0.033
Loa Loa (eye worm) hypothetical protein 0.0428 0.8742 1
Brugia malayi Amidase family protein 0.0052 0.0964 0.0983
Brugia malayi hypothetical protein 0.0013 0.0164 0.0055
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0052 0.0964 0.0896
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0367 0.0198
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0964 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0402 0.0459
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Mycobacterium ulcerans amidase 0.0052 0.0964 0.1247
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0119 0.0044
Loa Loa (eye worm) DR-78 0.0012 0.0135 0.0019
Mycobacterium tuberculosis Possible lysophospholipase 0.0293 0.595 1
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0402 0.0459
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0964 0.1103
Leishmania major monoglyceride lipase, putative 0.0293 0.595 1
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0123 0.244 0.2694
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0135 0.0069
Schistosoma mansoni ap endonuclease 0.0023 0.0367 0.0419
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0052 0.0964 0.1247
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Brugia malayi MGC83647 protein 0.0017 0.0254 0.016
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0052 0.0964 0.1247
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0012 0.0135 0.0155
Schistosoma mansoni nuclear receptor 0.0012 0.0135 0.0155
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0254 0.033
Plasmodium falciparum lysophospholipase, putative 0.0293 0.595 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0402 0.0329
Brugia malayi nuclear receptor RXR 0.0013 0.0164 0.0055
Brugia malayi ecdysone receptor 0.0012 0.0135 0.0022
Echinococcus granulosus nuclear receptor nhr 48 0.0012 0.0135 0.006
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0135 0.0155
Brugia malayi nuclear receptor NHR-88 0.0024 0.0402 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0402 0.0331
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1418 0.1622
Trypanosoma cruzi amidase, putative 0.0052 0.0964 0.1247
Echinococcus granulosus abhydrolase domain containing 3 0.0017 0.0254 0.018
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0402 0.0459
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0293 0.595 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0293 0.595 1
Schistosoma mansoni cpg binding protein 0.0037 0.0655 0.0749
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0402 0.0329
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0402 0.0331
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0293 0.595 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0052 0.0964 0.1247
Schistosoma mansoni fatty-acid amide hydrolase 0.0428 0.8742 1
Schistosoma mansoni zinc finger protein 0.0012 0.0135 0.0155
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0402 0.0329
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0402 0.0331
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0402 0.0328
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0367 0.029
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0402 0.0377
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0017 0.0254 0.0291
Loa Loa (eye worm) hypothetical protein 0.0017 0.0254 0.0157
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.0164 0.0187
Loa Loa (eye worm) hypothetical protein 0.0013 0.0164 0.0052
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Mycobacterium ulcerans lysophospholipase 0.0293 0.595 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.0164 0.0102
Echinococcus granulosus Phospholipase carboxylesterase 0.0017 0.0254 0.018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0402 0.0328
Echinococcus multilocularis nuclear receptor nhr 48 0.0012 0.0135 0.0069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0402 0.0377
Leishmania major hypothetical protein, conserved 0.0052 0.0964 0.1247
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.0164 0.0089
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0293 0.595 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0012 0.0135 0.0022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0402 0.0331
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0402 0.0459
Brugia malayi hypothetical protein 0.0012 0.0135 0.0022
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.0164 0.0052
Plasmodium falciparum lysophospholipase, putative 0.0293 0.595 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Mycobacterium ulcerans peptide amidase, GatA 0.0052 0.0964 0.1247
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0293 0.595 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0119 0.005
Loa Loa (eye worm) hypothetical protein 0.0013 0.0164 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0293 0.595 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0164 0.0052
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0402 0.0377
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0254 0.033
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0402 0.0331
Loa Loa (eye worm) hypothetical protein 0.0017 0.0254 0.0157
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0367 0.0198
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0254 0.033
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0254 0.033
Schistosoma mansoni coup transcription factor 0.0024 0.0402 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0123 0.244 0.2694
Mycobacterium ulcerans amidase 0.0052 0.0964 0.1247
Schistosoma mansoni nuclear receptor 0.0012 0.0135 0.0155
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0964 0.1247
Echinococcus granulosus fatty acid amide hydrolase 1 0.0428 0.8742 0.8732
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0367 0.0294
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0052 0.0964 0.1247
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0135 0.0022
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Echinococcus granulosus fatty acid amide hydrolase 1 0.0428 0.8742 0.8732
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0135 0.006
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0367 0.0198
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0052 0.0964 0.1247
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0012 0.0135 0.0019
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0123 0.244 0.2729
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0135 0.0022
Brugia malayi nuclear hormone receptor 0.0012 0.0135 0.0022
Schistosoma mansoni fatty-acid amide hydrolase 0.0052 0.0964 0.1103
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0402 0.0377
Brugia malayi Protein C20orf22 0.0017 0.0254 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Brugia malayi MGC79044 protein 0.0017 0.0254 0.016
Brugia malayi hypothetical protein 0.0013 0.0164 0.0055
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0402 0.0459
Echinococcus multilocularis Phospholipase carboxylesterase 0.0017 0.0254 0.0206
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0402 0.0331
Toxoplasma gondii exonuclease III APE 0.0023 0.0367 0.1125
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0402 0.0331
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0367 0.0198
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0402 0.0459
Trichomonas vaginalis conserved hypothetical protein 0.0293 0.595 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0402 0.0377
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0254 0.033
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0367 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0135 0.0022
Brugia malayi nuclear hormone receptor family member odr-7 0.0012 0.0135 0.0022
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0367 0.0198
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0402 0.0328
Loa Loa (eye worm) amidase 0.0052 0.0964 0.098
Loa Loa (eye worm) hypothetical protein 0.0013 0.0164 0.0052
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Echinococcus multilocularis FTZ F1 alpha 0.0123 0.244 0.2729
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0017 0.0254 0.033
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0075 0.0086
Schistosoma mansoni cpg binding protein 0.0035 0.0614 0.0702
Schistosoma mansoni amidase 0.0428 0.8742 1
Mycobacterium ulcerans amidase 0.0052 0.0964 0.1247
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Brugia malayi CXXC zinc finger family protein 0.0035 0.0614 0.0577
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0254 0.033
Brugia malayi steroid hormone receptor 0.0024 0.0402 0.0331
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0052 0.0964 1
Mycobacterium ulcerans hypothetical protein 0.0293 0.595 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0402 0.0459
Plasmodium falciparum esterase, putative 0.0293 0.595 1
Brugia malayi hypothetical protein 0.0012 0.0135 0.0022
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0367 0.0287
Brugia malayi Amidase family protein 0.0052 0.0964 0.0983
Loa Loa (eye worm) nuclear hormone receptor 0.0012 0.0135 0.0019
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0052 0.0964 0.1247
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0164 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0402 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0402 0.0331
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0367 0.0198
Brugia malayi putative amidase 0.0052 0.0964 0.0983
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0017 0.0254 0.0206
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0367 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Schistosoma mansoni cpg binding protein 0.0037 0.0655 0.0749
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1255 1
Brugia malayi orphan nuclear receptor NR2E1 0.0012 0.0135 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0328
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0017 0.0254 0.033
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0135 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Schistosoma mansoni ap endonuclease 0.0023 0.0367 0.0419
Brugia malayi nuclear receptor RXR 0.0012 0.0135 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0402 0.0331
Loa Loa (eye worm) nuclear receptor NHR-67 0.0012 0.0135 0.0019
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0402 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0402 0.0331
Brugia malayi tailless protein 0.0012 0.0135 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0402 0.0328
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0012 0.0135 0.0069
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0052 0.0964 0.1026
Loa Loa (eye worm) hypothetical protein 0.0123 0.244 0.2692
Onchocerca volvulus 0.0024 0.0402 0.5566
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0367 0.0198
Brugia malayi nuclear hormone receptor 0.0024 0.0402 0.0331
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0254 0.033
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0402 0.0459
Echinococcus granulosus abhydrolase domain containing protein 13 0.0017 0.0254 0.018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0402 0.0328
Echinococcus granulosus fatty acid amide hydrolase 1 0.0052 0.0964 0.0896
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0293 0.595 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0135 0.0019
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0012 0.0135 0.006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0123 0.244 0.2383
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0012 0.0135 0.0069
Schistosoma mansoni nuclear receptor nhr-48 0.0012 0.0135 0.0155
Echinococcus granulosus cpg binding protein 0.0037 0.0655 0.0584
Loa Loa (eye worm) amidase 0.0052 0.0964 0.098
Trypanosoma cruzi amidase, putative 0.0052 0.0964 0.1247
Mycobacterium ulcerans amidase 0.0052 0.0964 0.1247
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0402 0.0331
Echinococcus granulosus thyroid hormone receptor alpha 0.0012 0.0135 0.006
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0402 0.5566
Brugia malayi ecdysteroid receptor 0.0024 0.0402 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0402 0.0328
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0402 0.5566
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0402 0.0331
Loa Loa (eye worm) hypothetical protein 0.0017 0.0254 0.0157
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0017 0.0254 0.018
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0402 0.0329

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 3.683 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inverse agonists of the Steroidogenic Factor 1 Nuclear Receptor (SF1; NR5A1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 3.988 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 35.889 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.1192 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 17.7828 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

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