Detailed information for compound 1292788

Basic information

Technical information
  • TDR Targets ID: 1292788
  • Name: 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxad iazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol- 2-yl)acetamide
  • MW: 467.585 | Formula: C18H21N5O4S3
  • H donors: 1 H acceptors: 6 LogP: 2.81 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)c1nnc(o1)SCC(=O)Nc1scc(n1)C)CC
  • InChi: 1S/C18H21N5O4S3/c1-4-23(5-2)30(25,26)14-8-6-13(7-9-14)16-21-22-18(27-16)29-11-15(24)20-17-19-12(3)10-28-17/h6-10H,4-5,11H2,1-3H3,(H,19,20,24)
  • InChiKey: MTCSFBUOAGOBAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylthiazol-2-yl)acetamide
  • 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide
  • 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methylthiazol-2-yl)acetamide
  • 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide
  • 2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
  • MLS000888420
  • SMR000003103
  • Oprea1_159457
  • Oprea1_793075
  • MLS000072441
  • ASN 04363133

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
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
Echinococcus multilocularis GPCR, family 2 0.0411 0.3036 0.579
Brugia malayi Smad1 0.0083 0.0464 0.0464
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 0.5
Echinococcus granulosus mothers against decapentaplegic 2 0.0037 0.0104 0.0198
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.003 0.0047 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0239 0.2279
Schistosoma mansoni GTP-binding protein alpha subunit 0.003 0.0047 0.0069
Brugia malayi Probable ClpP-like protease 0.0158 0.1049 0.1049
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.003 0.0047 0.0069
Brugia malayi isocitrate dehydrogenase 0.0111 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0047
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0239 0.2279
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0693 0.5244 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.5244 0.7738
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.0683 0.5487
Schistosoma mansoni tar DNA-binding protein 0.0255 0.1814 0.2677
Echinococcus granulosus guanine nucleotide binding protein subunit 0.003 0.0047 0.0089
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0683 0.1303
Loa Loa (eye worm) transcription factor SMAD2 0.1218 0.936 0.936
Brugia malayi MH2 domain containing protein 0.0083 0.0464 0.0464
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0037 0.0104 0.0198
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0336 0.0641
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.003 0.0047 0.0089
Loa Loa (eye worm) MH2 domain-containing protein 0.1218 0.936 0.936
Echinococcus multilocularis mothers against decapentaplegic 5 0.0083 0.0464 0.0884
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.0623 0.1189
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.003 0.0047 0.0069
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.0623 0.1189
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.003 0.0047 0.0047
Echinococcus granulosus smad 0.0083 0.0464 0.0884
Schistosoma mansoni Smad4 0.0037 0.0104 0.0154
Echinococcus granulosus guanine nucleotide binding protein G protein 0.003 0.0047 0.0089
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.003 0.0047 0.0047
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0411 0.3036 0.579
Loa Loa (eye worm) MH1 domain-containing protein 0.0037 0.0104 0.0104
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0411 0.3036 0.3036
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.003 0.0047 0.0089
Brugia malayi mothers against decapentaplegic homolog 3 0.0037 0.0104 0.0104
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0111 0.0683 0.6515
Brugia malayi MH2 domain containing protein 0.1218 0.936 0.936
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0158 0.1049 0.2
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.003 0.0047 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.0683 0.5487
Loa Loa (eye worm) MH2 domain-containing protein 0.0083 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0411 0.3036 0.3036
Schistosoma mansoni hypothetical protein 0.0411 0.3036 0.4481
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.003 0.0047 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0693 0.5244 1
Loa Loa (eye worm) Smad1 0.0083 0.0464 0.0464
Schistosoma mansoni trimeric G-protein alpha o subunit 0.003 0.0047 0.0069
Entamoeba histolytica hypothetical protein 0.0035 0.0088 1
Schistosoma mansoni tar DNA-binding protein 0.0255 0.1814 0.2677
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.003 0.0047 0.5
Echinococcus granulosus guanine nucleotide binding protein subunit 0.003 0.0047 0.0089
Echinococcus multilocularis aryl hydrocarbon receptor 0.0026 0.0014 0.0027
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0047
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.003 0.0047 0.0047
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 0.5
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0026 0.0014 0.0014
Brugia malayi hypothetical protein 0.0035 0.0088 0.0088
Echinococcus granulosus guanine nucleotide binding protein G protein 0.003 0.0047 0.0089
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.1049 1
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.003 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.045 0.3342 0.3342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0693 0.5244 0.5244
Loa Loa (eye worm) hypothetical protein 0.0026 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0158 0.1049 0.1049
Echinococcus multilocularis tar DNA binding protein 0.0255 0.1814 0.346
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.003 0.0047 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0336 0.0641
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.003 0.0047 0.0069
Brugia malayi follicle stimulating hormone receptor 0.028 0.2006 0.2006
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0111 0.0683 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0158 0.1049 1
Schistosoma mansoni smad1 5 8 and 0.0083 0.0464 0.0684
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0083 0.0464 0.0684
Trypanosoma cruzi PAB1-binding protein , putative 0.0151 0.1001 1
Leishmania major hypothetical protein, conserved 0.0151 0.1001 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0083 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0047
Schistosoma mansoni peptidase Clp (S14 family) 0.0158 0.1049 0.1548
Trypanosoma brucei PAB1-binding protein , putative 0.0151 0.1001 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.003 0.0047 0.0089
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.003 0.0047 0.0089
Onchocerca volvulus 0.045 0.3342 1
Entamoeba histolytica hypothetical protein 0.0035 0.0088 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0037 0.0104 0.0198
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.003 0.0047 0.0069
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.0623 0.4744
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0047
Echinococcus granulosus GPCR family 2 0.0411 0.3036 0.579
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.003 0.0047 0.0047
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0255 0.1814 0.1814
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0158 0.1049 0.2
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0037 0.0104 0.0311
Brugia malayi G-protein alpha subunit 0.003 0.0047 0.0047
Toxoplasma gondii LsmAD domain-containing protein 0.0151 0.1001 0.9405
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0088 0.0168
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.003 0.0047 0.0047
Brugia malayi MH1 domain containing protein 0.0083 0.0464 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0255 0.1814 0.2677
Echinococcus multilocularis Smad4 0.0083 0.0464 0.0884
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.5244 0.7738
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0683 0.1303
Schistosoma mansoni hypothetical protein 0.0165 0.1107 0.1634
Schistosoma mansoni Smad4 0.0083 0.0464 0.0684
Onchocerca volvulus 0.003 0.0047 0.0139
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.003 0.0047 0.0069
Brugia malayi latrophilin 2 splice variant baaae 0.0888 0.6777 0.6777
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.003 0.0047 0.0047
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0683 0.1303
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.003 0.0047 0.0069
Echinococcus granulosus aryl hydrocarbon receptor 0.0026 0.0014 0.0027
Brugia malayi hypothetical protein 0.0026 0.0014 0.0014
Onchocerca volvulus 0.003 0.0047 0.0139
Loa Loa (eye worm) TAR-binding protein 0.0255 0.1814 0.1814
Brugia malayi MH2 domain containing protein 0.0083 0.0464 0.0464
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.003 0.0047 0.0069
Loa Loa (eye worm) RNA binding protein 0.0255 0.1814 0.1814
Loa Loa (eye worm) nuclear factor I 0.0046 0.0173 0.0173
Echinococcus granulosus TGF beta signal transducer SmadC 0.0083 0.0464 0.0884
Echinococcus multilocularis isocitrate dehydrogenase 0.0111 0.0683 0.1303
Loa Loa (eye worm) MH2 domain-containing protein 0.0037 0.0104 0.0104
Schistosoma mansoni smad1 5 8 and 0.0083 0.0464 0.0684
Schistosoma mansoni tar DNA-binding protein 0.0255 0.1814 0.2677
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.003 0.0047 0.0069
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0111 0.0683 0.6515
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0047
Brugia malayi MH2 domain containing protein 0.0037 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0888 0.6777 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0083 0.0464 0.0884
Schistosoma mansoni hypothetical protein 0.0411 0.3036 0.4481
Echinococcus multilocularis geminin 0.0165 0.1107 0.2112
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0111 0.0683 0.1303
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0693 0.5244 0.5244
Echinococcus granulosus tar DNA binding protein 0.0255 0.1814 0.346
Brugia malayi MH1 domain containing protein 0.0046 0.0173 0.0173
Brugia malayi Latrophilin receptor protein 2 0.0411 0.3036 0.3036
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.003 0.0047 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0151 0.1001 0.9541
Schistosoma mansoni hypothetical protein 0.0068 0.0346 0.051
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.003 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0411 0.3036 0.4481
Echinococcus multilocularis smad 0.0083 0.0464 0.0884
Brugia malayi hypothetical protein 0.045 0.3342 0.3342
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.003 0.0047 0.0069
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2006 0.2006
Schistosoma mansoni Smad4 0.0037 0.0104 0.0154
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.003 0.0047 0.0047
Loa Loa (eye worm) isocitrate dehydrogenase 0.0111 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.0037 0.0104 0.0104
Onchocerca volvulus 0.003 0.0047 0.0139
Schistosoma mansoni hypothetical protein 0.0165 0.1107 0.1634
Echinococcus multilocularis expressed protein 0.003 0.0047 0.0089
Trypanosoma cruzi PAB1-binding protein , putative 0.0151 0.1001 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0083 0.0464 0.0884
Loa Loa (eye worm) latrophilin receptor protein 2 0.0411 0.3036 0.3036
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.003 0.0047 0.5
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.003 0.0047 0.0089
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 1
Brugia malayi RNA recognition motif domain containing protein 0.0255 0.1814 0.1814
Loa Loa (eye worm) hypothetical protein 0.0175 0.1187 0.1187
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0088 0.013
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0158 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0173 0.0173
Schistosoma mansoni smad 0.0083 0.0464 0.0684
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.003 0.0047 0.0047
Brugia malayi RNA binding protein 0.0255 0.1814 0.1814
Entamoeba histolytica hypothetical protein 0.0035 0.0088 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0693 0.5244 1
Echinococcus granulosus expressed protein 0.003 0.0047 0.0089
Loa Loa (eye worm) hypothetical protein 0.0151 0.1001 0.1001
Brugia malayi hypothetical protein 0.003 0.0047 0.0047
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0411 0.3036 0.579
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0411 0.3036 0.579
Schistosoma mansoni lipoxygenase 0.0067 0.0336 0.0496
Brugia malayi TAR-binding protein 0.0255 0.1814 0.1814
Brugia malayi hypothetical protein 0.0151 0.1001 0.1001
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.003 0.0047 0.0047
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.003 0.0047 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0693 0.5244 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.003 0.0047 0.0047
Entamoeba histolytica hypothetical protein 0.0035 0.0088 1
Schistosoma mansoni hypothetical protein 0.0035 0.0088 0.013
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.003 0.0047 0.0089
Loa Loa (eye worm) hypothetical protein 0.0888 0.6777 0.6777
Plasmodium vivax ataxin-2 like protein, putative 0.0151 0.1001 0.9541
Plasmodium falciparum ataxin-2 like protein, putative 0.0151 0.1001 0.9541
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.003 0.0047 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0693 0.5244 0.7738
Onchocerca volvulus 0.0026 0.0014 0.0043
Loa Loa (eye worm) G protein alpha subunit 3 0.003 0.0047 0.0047
Echinococcus granulosus mothers against decapentaplegic 6 0.0037 0.0104 0.0198
Schistosoma mansoni smad1 5 8 and 0.0083 0.0464 0.0684
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1187 0.3552
Schistosoma mansoni smad 0.0037 0.0104 0.0154
Echinococcus granulosus geminin 0.0165 0.1107 0.2112
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.003 0.0047 0.0047
Brugia malayi hypothetical protein 0.0098 0.058 0.058
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.1049 0.5
Echinococcus granulosus Smad4 0.0083 0.0464 0.0884
Schistosoma mansoni GTP-binding protein alpha subunit 0.003 0.0047 0.0069
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0411 0.3036 0.579
Brugia malayi Isocitrate dehydrogenase 0.0111 0.0683 0.0683
Schistosoma mansoni hypothetical protein 0.0411 0.3036 0.4481
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0068 0.0346 0.066
Brugia malayi MH1 domain containing protein 0.0083 0.0464 0.0464
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.1049 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0088 0.0168
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0111 0.0683 0.1303
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0068 0.0346 0.066
Brugia malayi N-terminal motif family protein 0.0175 0.1187 0.1187
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0111 0.0683 0.1008
Schistosoma mansoni tar DNA-binding protein 0.0255 0.1814 0.2677
Brugia malayi MH1 domain containing protein 0.0046 0.0173 0.0173

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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