Detailed information for compound 1311303

Basic information

Technical information
  • TDR Targets ID: 1311303
  • Name: 4-(3-methylpyridin-1-ium-1-yl)-5-[(E)-[(4-nit rophenyl)hydrazinylidene]methyl]-1,3-thiazol- 2-olate
  • MW: 355.371 | Formula: C16H13N5O3S
  • H donors: 2 H acceptors: 4 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc[n+](c1)c1nc(sc1C=NNc1ccc(cc1)[N+](=O)[O-])[O-]
  • InChi: 1S/C16H13N5O3S/c1-11-3-2-8-20(10-11)15-14(25-16(22)18-15)9-17-19-12-4-6-13(7-5-12)21(23)24/h2-10,19H,1H3
  • InChiKey: FKDCKFZJYVRFTF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-methylpyridin-1-ium-1-yl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-olate
  • 4-(3-methylpyridin-1-ium-1-yl)-5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-olate
  • 4-(3-methylpyridin-1-ium-1-yl)-5-[(Z)-[(4-nitrophenyl)hydrazono]methyl]thiazol-2-olate
  • 4-(3-methylpyridin-1-ium-1-yl)-5-[(E)-[(4-nitrophenyl)hydrazono]methyl]thiazol-2-olate
  • 4-(3-methylpyridin-1-ium-1-yl)-5-[[(4-nitrophenyl)hydrazono]methyl]thiazol-2-olate
  • 4-(3-methyl-1-pyridin-1-iumyl)-5-[(Z)-[(4-nitrophenyl)hydrazono]methyl]-2-thiazololate
  • 4-(3-methyl-1-pyridin-1-iumyl)-5-[(E)-[(4-nitrophenyl)hydrazono]methyl]-2-thiazololate
  • 4-(3-methyl-1-pyridin-1-iumyl)-5-[[(4-nitrophenyl)hydrazono]methyl]-2-thiazololate
  • SMR000427297
  • MLS001030197
  • STOCK1S-22620

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor susceptibility 101 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Leishmania infantum cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma congolense cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Leishmania infantum calpain-like cysteine peptidase Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi calpain cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum ko:K01931 tumor suppressor protein 101 [EC:6.3.2.19], putative Get druggable targets OG5_128950 All targets in OG5_128950
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Trypanosoma brucei variant surface glycoprotein (VSG), putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense calpain-like cysteine peptidase, putative,antigen, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei hypothetical protein Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Leishmania infantum hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.018 0.1973 0.415
Loa Loa (eye worm) hypothetical protein 0.018 0.1973 0.415
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.0342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.028
Echinococcus multilocularis muscleblind protein 1 0.018 0.1973 0.1896
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0292 0.0198
Brugia malayi MH2 domain containing protein 0.0144 0.1528 0.3131
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0084 0.0788 0.0699
Trypanosoma brucei hypothetical protein 0.0135 0.1417 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2845 0.6145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0198 0.004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0292 0.0304
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1417 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0292 0.0112
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2174 0.2099
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0342
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2174 0.2099
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0292 0.0304
Schistosoma mansoni tsg101-related 0.007 0.0615 0.0463
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0292 0.0112
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0292 0.1552
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) tumor suppressor 0.0388 0.453 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0292 0.0112
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0292 0.0112
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0057 0.0458 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0788 0.1438
Plasmodium vivax SET domain protein, putative 0.0036 0.0198 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3272 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1528 0.3131
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.004
Brugia malayi Pre-SET motif family protein 0.0251 0.2845 0.6145
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0198 0.0104
Onchocerca volvulus 0.0114 0.1154 0.311
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1528 0.3131
Echinococcus granulosus protein quaking 0.0033 0.0159 0.0064
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1417 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.0342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0434 0.0629
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0198 0.0104
Brugia malayi Muscleblind-like protein 0.018 0.1973 0.415
Echinococcus multilocularis protein quaking 0.0033 0.0159 0.0064
Loa Loa (eye worm) hypothetical protein 0.0036 0.0198 0.009
Schistosoma mansoni tsg101-related 0.0057 0.0458 0.0303
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2174 0.461
Echinococcus granulosus hypothetical protein 0.0033 0.0159 0.0064
Echinococcus granulosus muscleblind protein 0.018 0.1973 0.1896
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0434 0.0629
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.004
Brugia malayi hypothetical protein 0.0084 0.0788 0.1438
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.002 0 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0292 0.0112
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0292 0.0198
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.002 0 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1417 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0292 0.0112
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2174 0.2099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.028
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0084 0.0788 0.0699
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1417 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0292 0.0112
Chlamydia trachomatis glutamine binding protein 0.002 0 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.002 0 0.5
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0135 0.1417 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1837 0.1705
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0292 0.0112
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0135 0.1417 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0198 0.0104
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.002 0 0.5
Trypanosoma brucei glucosidase, putative 0.0044 0.0292 0.1552
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0198 0.009
Echinococcus multilocularis muscleblind protein 0.018 0.1973 0.1896
Onchocerca volvulus 0.0286 0.3272 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0182 0.0088
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Schistosoma mansoni tsg101-related 0.007 0.0615 0.0463
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0292 0.1552
Trypanosoma brucei calpain-like protein, putative 0.0135 0.1417 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0292 0.1552
Trypanosoma brucei calpain, putative 0.0135 0.1417 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1417 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0292 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0292 0.0112
Schistosoma mansoni alpha-glucosidase 0.0169 0.1837 0.1705
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1417 1
Brugia malayi tumor suppressor. 0.0388 0.453 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0292 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0342
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.002 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2174 0.461

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.962 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) = 10.098 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
IC50 (functional) = 33.3 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0007 uM PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation in TR assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 2.8184 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.5701 uM PubChem BioAssay. qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 70.7946 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) = 70.9627 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 2076, 1766 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) = 158.4893 um PUBCHEM_BIOASSAY: Confirmation of Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) [Related pubchem assays: 1768, 1766, 2076 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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