Detailed information for compound 1439803

Basic information

Technical information
  • TDR Targets ID: 1439803
  • Name: 1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfo nyl-4-(phenylmethyl)piperidine
  • MW: 471.572 | Formula: C23H29N5O4S
  • H donors: 0 H acceptors: 5 LogP: 3.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(c(cc1S(=O)(=O)N1CCC(CC1)Cc1ccccc1)OCC)n1cnnn1
  • InChi: 1S/C23H29N5O4S/c1-3-31-21-16-23(22(32-4-2)15-20(21)28-17-24-25-26-28)33(29,30)27-12-10-19(11-13-27)14-18-8-6-5-7-9-18/h5-9,15-17,19H,3-4,10-14H2,1-2H3
  • InChiKey: GSCGUSAKQAFFDK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(phenylmethyl)piperidine
  • 4-(benzyl)-1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-piperidine
  • 1-[2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonyl-4-(phenylmethyl)piperidine
  • Oprea1_168743
  • 4-Benzyl-1-(2,5-diethoxy-4-tetrazol-1-yl-benzenesulfonyl)-piperidine
  • MLS000031900
  • SMR000003700
  • ASN 04886942
  • MLS000880738
  • Oprea1_486840

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ubiquitin specific protease 41 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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0731 0.0379
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0731 0.0767
Loa Loa (eye worm) hypothetical protein 0.0094 0.1877 0.3155
Echinococcus multilocularis RUN 0.0024 0.0251 0.0263
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0731 0.0379
Loa Loa (eye worm) hypothetical protein 0.0066 0.1216 0.1954
Echinococcus multilocularis acetylcholinesterase 0.0066 0.1216 0.1277
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0731 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1877 0.3327
Echinococcus granulosus GPCR family 2 0.0019 0.0141 0.0148
Echinococcus granulosus acetylcholinesterase 0.0066 0.1216 0.1277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0813 0.144
Brugia malayi Inositol-1 0.0045 0.073 0.1087
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1128 0.1184
Brugia malayi hypothetical protein 0.0024 0.0251 0.0218
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1877 0.197
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0731 0.0767
Onchocerca volvulus 0.0447 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0365 0.0704
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1464 0.2595
Brugia malayi Pre-SET motif family protein 0.0219 0.4753 0.8386
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 0.5
Brugia malayi Pre-SET motif family protein 0.0031 0.0427 0.0538
Trichomonas vaginalis set domain proteins, putative 0.025 0.5451 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.1238 0.1299
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 0.1304
Schistosoma mansoni lipoxygenase 0.0067 0.1238 0.2194
Echinococcus multilocularis vesicular acetylcholine transporter 0.0252 0.5508 0.5782
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0401 0.042
Echinococcus granulosus lamin b receptor 0.0093 0.1836 0.1927
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0251 0.0263
Echinococcus granulosus carboxylesterase 5A 0.0066 0.1216 0.1277
Trypanosoma cruzi C-14 sterol reductase, putative 0.0093 0.1836 0.1526
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.4753 0.8383
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.1238 0.1299
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0731 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1464 0.2595
Brugia malayi RNA binding protein 0.0076 0.1464 0.2419
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1464 0.1537
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0447 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0731 0.0379
Schistosoma mansoni hypothetical protein 0.0041 0.065 0.1152
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0141 0.0148
Toxoplasma gondii hypothetical protein 0.0033 0.0452 0.0572
Brugia malayi hypothetical protein 0.0029 0.0365 0.0426
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0251
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.073 0.0378
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0731 0.0767
Schistosoma mansoni rab6-interacting 0.0024 0.0251 0.0445
Brugia malayi MH2 domain containing protein 0.0144 0.3022 0.5246
Echinococcus granulosus RUN 0.0024 0.0251 0.0263
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0251 0.0263
Echinococcus multilocularis lamin b receptor 0.0093 0.1836 0.1927
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0813 0.0853
Mycobacterium ulcerans alpha-L-fucosidase 0.0427 0.9527 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0113 0.2309 0.3344
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0622 0.1194
Schistosoma mansoni hypothetical protein 0.0024 0.0251 0.0445
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0252 0.5508 0.9756
Onchocerca volvulus 0.025 0.5451 0.5334
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0365 0.0704
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0813 0.0853
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0731 0.0767
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.1216 0.2156
Schistosoma mansoni Lamin B receptor (ERG24) 0.0093 0.1836 0.3254
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1089 0.1739
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1877 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0251 0.0263
Loa Loa (eye worm) RNA binding protein 0.0076 0.1464 0.2404
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0251 0.0263
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1089 0.1739
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1877 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3022 0.5237
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0447 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1089 0.1722
Trypanosoma brucei C-14 sterol reductase, putative 0.0093 0.1836 0.1526
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0447 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1877 1
Brugia malayi TAR-binding protein 0.0076 0.1464 0.2419
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0813 0.1238
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0251
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0427 0.9527 1
Trypanosoma cruzi sterol C-24 reductase, putative 0.0048 0.0811 0.0463
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.073 0.0378
Loa Loa (eye worm) hypothetical protein 0.0041 0.065 0.0925
Schistosoma mansoni rab6-interacting 0.0024 0.0251 0.0445
Schistosoma mansoni vesicular acetylcholine transporter 0.0252 0.5508 0.9762
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0199
Trypanosoma cruzi Emopamil binding protein, putative 0.0447 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1464 0.2595
Trypanosoma cruzi Emopamil binding protein, putative 0.0447 1 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0427 0.9527 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.073 0.241
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0365 0.0704
Loa Loa (eye worm) hypothetical protein 0.0048 0.0811 0.1217
Loa Loa (eye worm) alpha-L-fucosidase 0.0258 0.5643 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1089 0.1722
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0199
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1464 0.2419
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1877 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0731 0.1089
Trypanosoma cruzi sterol C-24 reductase, putative 0.0048 0.0811 0.0463
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0731 0.0379
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3022 0.5237
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0252 0.5508 0.5393
Leishmania major sterol C-24 reductase, putative 0.0048 0.0811 0.0463
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.1216 0.1277
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1464 0.2595
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0427 0.0448
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0141 0.002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0141 0.0148
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0141 0.0148
Loa Loa (eye worm) hypothetical protein 0.0031 0.0427 0.052
Loa Loa (eye worm) hypothetical protein 0.0045 0.0731 0.1072
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0141 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0731 0.0003
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1877 0.197
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0427 0.0409
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.073 0.0378
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0427 0.0757
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0251 0.0263
Plasmodium vivax SET domain protein, putative 0.0031 0.0427 0.1083
Brugia malayi Carboxylesterase family protein 0.0066 0.1216 0.197
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0113 0.2309 0.3344
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1128 0.1184
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1464 0.2404
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0141 0.0148
Loa Loa (eye worm) inositol-1 0.0045 0.073 0.107
Loa Loa (eye worm) hypothetical protein 0.0029 0.0365 0.0407
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.073 0.0378
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0731 0.0003
Brugia malayi Alpha-L-fucosidase family protein 0.0258 0.5643 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0731 0.0767
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0251 0.0199
Schistosoma mansoni alpha-l-fucosidase 0.0258 0.5643 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.073 0.0766
Echinococcus multilocularis GPCR, family 2 0.0019 0.0141 0.0148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0813 0.0853
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 1
Schistosoma mansoni lipoxygenase 0.0024 0.0251 0.0445
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1128 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.073 0.0766
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0731 0.1295
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0452 0.1235
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1128 0.4744
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0427 0.0757
Brugia malayi Probable ClpP-like protease 0.0094 0.1877 0.3169
Leishmania major C-14 sterol reductase, putative 0.0093 0.1836 0.1526
Echinococcus granulosus tar DNA binding protein 0.0076 0.1464 0.1537
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.1216 0.1954
Trypanosoma brucei Emopamil binding protein, putative 0.0447 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0813 0.144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0813 0.144
Echinococcus granulosus vesicular acetylcholine transporter 0.0252 0.5508 0.5782
Onchocerca volvulus 0.0031 0.0427 0.0181
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1464 0.2595
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0427 0.0757
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0251 0.0263
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0813 0.122
Loa Loa (eye worm) hypothetical protein 0.0066 0.1216 0.1954
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0731 0.0003
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 1
Brugia malayi Carboxylesterase family protein 0.0066 0.1216 0.197
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0427 0.0448
Schistosoma mansoni inositol monophosphatase 0.0045 0.073 0.1293
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0452 0.1235
Echinococcus multilocularis acetylcholinesterase 0.0066 0.1216 0.1277
Schistosoma mansoni inositol monophosphatase 0.0045 0.073 0.1293
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0427 0.0448
Schistosoma mansoni hypothetical protein 0.0019 0.0141 0.0251
Loa Loa (eye worm) carboxylesterase 0.0066 0.1216 0.1954
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0813 0.0853
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 0.1304
Schistosoma mansoni polycystin 1-related 0.0024 0.0251 0.0445
Schistosoma mansoni loxhd1 0.0024 0.0251 0.0445
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.065 0.0943
Brugia malayi vesicular acetylcholine transporter unc-17 0.0252 0.5508 0.9756
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0731 0.1295
Trypanosoma cruzi C-14 sterol reductase, putative 0.0093 0.1836 0.1526
Brugia malayi Doublecortin family protein 0.0024 0.0251 0.0218
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1877 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0731 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1464 0.2404
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0427 0.0757
Echinococcus granulosus acetylcholinesterase 0.0066 0.1216 0.1277
Brugia malayi hypothetical protein 0.0024 0.0251 0.0218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 35.4813 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.

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