Detailed information for compound 1456886

Basic information

Technical information
  • TDR Targets ID: 1456886
  • Name: 4-[[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1 ,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzo ic acid
  • MW: 466.533 | Formula: C22H18N4O4S2
  • H donors: 2 H acceptors: 5 LogP: 3.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nnc1c1cccs1
  • InChi: 1S/C22H18N4O4S2/c1-30-17-10-8-16(9-11-17)26-20(18-3-2-12-31-18)24-25-22(26)32-13-19(27)23-15-6-4-14(5-7-15)21(28)29/h2-12H,13H2,1H3,(H,23,27)(H,28,29)
  • InChiKey: QIKFFADORFWJDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
  • 4-[[2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid
  • 4-[[2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid
  • 4-[2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid
  • MLS000889829
  • MLS000042735
  • SMR000047187

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum M17 leucyl aminopeptidase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens phosphatidylinositol-5-phosphate 4-kinase, type II, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium leprae Probable cytosol aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania donovani cytosolic leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_131617 All targets in OG5_131617
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) pip kinase 2 Get druggable targets OG5_131617 All targets in OG5_131617
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Pip kinase protein 2 Get druggable targets OG5_131617 All targets in OG5_131617
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Chlamydia trachomatis cytosol aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus granulosus leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Babesia bovis leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131617 All targets in OG5_131617
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00889 1-phosphatidylinositol-4-phosphate 5-kinase [EC2.7.1.68], putative Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium vivax M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii putative leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum Probable cytosol aminopeptidase, related Get druggable targets OG5_127293 All targets in OG5_127293
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii leucyl aminopeptidase LAP Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Cryptosporidium parvum putative leucine aminopeptidase; of possible plant or bacterial origin Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense cytosolic leucyl aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum M17 leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha phosphatidylinositol-5-phosphate 4-kinase, type II, alpha 406 aa 341 aa 32.0 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0616 0.1393
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0127 0.1628 1
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.026 0.1597
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0358 0.0358
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0616 0.1518
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0358 0.2196
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0181 0.0513
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.003 0.003
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.026 0.0588
Schistosoma mansoni importin beta-1 0.0029 0.0118 0.0266
Loa Loa (eye worm) hypothetical protein 0.0029 0.0118 0.0266
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0181 0.0181
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.003 0.003
Echinococcus granulosus importin subunit beta 1 0.0029 0.0118 0.0118
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4062 1
Brugia malayi RNA binding protein 0.0191 0.2605 0.7383
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0616 0.3787
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0033 0.0082
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0772 0.2186
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0118 0.0722
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0616 0.3787
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.047 0.2887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0379 0.0856
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.026 0.1597
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0616 0.3787
Loa Loa (eye worm) hypothetical protein 0.0052 0.047 0.1062
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0358 0.1013
Chlamydia trachomatis cytosol aminopeptidase 0.0127 0.1628 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0033 0.0082
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0616 0.0616
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0127 0.1628 1
Schistosoma mansoni hypothetical protein 0.0072 0.0772 0.1743
Brugia malayi TAR-binding protein 0.0191 0.2605 0.7383
Schistosoma mansoni hypothetical protein 0.031 0.4426 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.2684 0.6065
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0465 0.0465
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0379 0.0379
Schistosoma mansoni hypothetical protein 0.0023 0.003 0.0068
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0181 0.0181
Brugia malayi Pre-SET motif family protein 0.0036 0.0225 0.0639
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.128 0.3628
Brugia malayi Importin beta-1 subunit 0.0029 0.0118 0.0333
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0358 0.088
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0616 0.1518
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.1013 0.5505
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.047 0.2887
Leishmania major hypothetical protein, conserved 0.0052 0.047 0.2887
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0616 0.0616
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Echinococcus granulosus leucyl aminopeptidase 0.0025 0.0062 0.0062
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0882 0.5416
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.2684 0.2684
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.1163 0.6598
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0072 0.0772 0.1743
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0616 0.3787
Leishmania major importin beta-1 subunit, putative 0.0024 0.0033 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0379 0.0856
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.1013 0.5505
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0358 0.58
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0089 0.0547
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.047 0.2887
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0127 0.1628 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.026 0.1597
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0358 0.0358
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0882 0.0882
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.0062 0.0062
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0225 0.0225
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0127 0.1628 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0358 0.2196
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2605 0.5887
Echinococcus granulosus GPCR family 2 0.0033 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0105 0.128 0.2893
Loa Loa (eye worm) glutathione reductase 0.0038 0.026 0.0588
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0882 0.5416
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0118 0.0118
Brugia malayi Thioredoxin reductase 0.0038 0.026 0.0737
Plasmodium falciparum importin beta, putative 0.0029 0.0118 0.0722
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0358 0.0358
Plasmodium falciparum glutathione reductase 0.0038 0.026 0.1597
Brugia malayi Pre-SET motif family protein 0.0251 0.3529 1
Trypanosoma brucei protein kinase, putative 0.0062 0.0616 0.3787
Trypanosoma brucei aminopeptidase, putative 0.0025 0.0062 0.0381
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0379 0.0856
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.1013 0.5505
Toxoplasma gondii leucyl aminopeptidase LAP 0.0127 0.1628 1
Brugia malayi MAP kinase sur-1 0.0062 0.0616 0.1747
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0025 0.0062 0.0176
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.047 0.2887
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0358 0.0358
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2605 0.5887
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0127 0.1628 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0268 0.0268
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.047 0.2887
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0268 0.0268
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.1013 0.5505
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0409
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0025 0.0062 0.0062
Mycobacterium tuberculosis Probable reductase 0.0087 0.1013 0.5505
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0465 0.1499
Onchocerca volvulus 0.0196 0.2684 0.641
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0225 0.0509
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0181 0.0181
Loa Loa (eye worm) TAR-binding protein 0.0191 0.2605 0.5887
Schistosoma mansoni hypothetical protein 0.0033 0.0181 0.0409
Plasmodium vivax importin-beta 2, putative 0.0029 0.0118 0.0722
Echinococcus granulosus tar DNA binding protein 0.0191 0.2605 0.2605
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0225 0.0509
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0358 0.0358
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0181 0.0513
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0616 1
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0025 0.0062 0.014
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.047 0.2887
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0882 0.5416
Brugia malayi cytosol aminopeptidase 0.0025 0.0062 0.0176
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0616 0.3787
Echinococcus granulosus leucyl aminopeptidase 0.0025 0.0062 0.0062
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0882 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0225 0.1385
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0358 0.0358
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0025 0.0062 0.014
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0118 0.0722
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0127 0.1628 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.1013 0.6004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0225 0.0509
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0358 0.088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.128 0.2893
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.0062 0.0062
Echinococcus multilocularis leucyl aminopeptidase 0.0025 0.0062 0.0062
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0616 0.3787
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0379 0.0379
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.4426 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.1013 0.5505
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0127 0.1628 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.026 0.1597
Entamoeba histolytica hypothetical protein 0.0024 0.0033 0.0933
Trypanosoma brucei trypanothione reductase 0.0038 0.026 0.1597
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0025 0.0062 0.0176
Echinococcus granulosus leucine aminopeptidase protein 0.0127 0.1628 0.1628
Echinococcus multilocularis snurportin 1 0.031 0.4426 0.4426
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0882 0.1992
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2605 0.5887
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0033 0.0205
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0181 0.0409
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.1163 0.6598
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0465 0.2444
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0181 0.0181
Echinococcus multilocularis GPCR, family 2 0.0033 0.0181 0.0181
Loa Loa (eye worm) pip kinase 2 0.0196 0.2684 0.6065
Plasmodium falciparum M17 leucyl aminopeptidase 0.0127 0.1628 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0882 0.0882
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0616 0.1518
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0225 0.0509
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0358 0.2196
Onchocerca volvulus 0.0099 0.1184 0.2499
Schistosoma mansoni hypothetical protein 0.0033 0.0181 0.0409
Brugia malayi glutathione reductase 0.0038 0.026 0.0737
Plasmodium vivax SET domain protein, putative 0.0036 0.0225 0.1385
Mycobacterium ulcerans leucyl aminopeptidase 0.0127 0.1628 1
Loa Loa (eye worm) RNA binding protein 0.0191 0.2605 0.5887
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0358 0.0808
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0029 0.0117 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0379 0.0856
Plasmodium vivax glutathione reductase, putative 0.0038 0.026 0.1597
Schistosoma mansoni hypothetical protein 0.0033 0.0181 0.0409
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0025 0.0062 0.014
Echinococcus multilocularis tumor protein p63 0.0673 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.1163 0.6598
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0465 0.1499
Onchocerca volvulus 0.0286 0.4062 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0205 0.0205
Echinococcus multilocularis leucine aminopeptidase protein 0.0127 0.1628 0.1628
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0358 0.0808
Brugia malayi Probable ClpP-like protease 0.0079 0.0882 0.2499
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0616 0.3787
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.1163 0.6977
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0089 0.0547
Toxoplasma gondii hypothetical protein 0.0027 0.0089 0.0547
Brugia malayi Pip kinase protein 2 0.0196 0.2684 0.7607
Schistosoma mansoni hypothetical protein 0.0033 0.0181 0.0409
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.047 0.2887
Brugia malayi hypothetical protein 0.0052 0.047 0.1332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0379 0.0379
Brugia malayi hypothetical protein 0.0034 0.0187 0.0531
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0379 0.1073
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.128 0.3628
Loa Loa (eye worm) hypothetical protein 0.0196 0.2684 0.6065
Loa Loa (eye worm) hypothetical protein 0.0099 0.1184 0.2675
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0616 0.3787
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0127 0.1628 1
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.1184 0.2675
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0358 1
Brugia malayi RNA, U transporter 1 0.0083 0.0938 0.2659
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0358 0.088
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2605 0.5887
Echinococcus granulosus snurportin 1 0.031 0.4426 0.4426
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0225 0.0509
Brugia malayi RNA recognition motif domain containing protein 0.0191 0.2605 0.7383
Schistosoma mansoni tar DNA-binding protein 0.0191 0.2605 0.5887
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.2684 0.6065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0379 0.0379
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0025 0.0062 0.0381
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0225 0.0225
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0033 0.0082
Schistosoma mansoni leucine aminopeptidase 0.0025 0.0062 0.014
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0225 0.0225
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.2684 0.2684
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3529 0.7974
Leishmania major trypanothione reductase 0.0038 0.026 0.1597
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0882 0.5416
Loa Loa (eye worm) hypothetical protein 0.0079 0.0882 0.1992
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0118 0.0722
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0882 0.5151
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0465 0.0465
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0616 0.1393
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0191 0.2605 0.5887
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0616 0.0616
Loa Loa (eye worm) hypothetical protein 0.0045 0.0358 0.0808
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0358 0.2196
Echinococcus multilocularis tar DNA binding protein 0.0191 0.2605 0.2605
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0616 0.1518

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 14.47 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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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