Detailed information for compound 1397090

Basic information

Technical information
  • TDR Targets ID: 1397090
  • Name: 2',2'-dimethylspiro[5,6,7,8a-tetrahydro-[1,3] thiazolo[3,2-a]pyrazine-8,4'-oxane]-3-one
  • MW: 256.364 | Formula: C12H20N2O2S
  • H donors: 1 H acceptors: 1 LogP: 0.53 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CSC2N1CCNC12CCOC(C1)(C)C
  • InChi: 1S/C12H20N2O2S/c1-11(2)8-12(3-6-16-11)10-14(5-4-13-12)9(15)7-17-10/h10,13H,3-8H2,1-2H3
  • InChiKey: CEZNQEDIPGJTON-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2',2'-dimethylspiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyrazine-8,4'-tetrahydropyran]-3-one
  • 2',2'-dimethyl-3-spiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyrazine-8,4'-tetrahydropyran]one
  • SDCCGMLS-0015337.P002
  • STOCK1N-26470
  • AJ-292/34578003
  • BAS 00608707
  • CBMicro_028152
  • Oprea1_859042
  • MLS000029630
  • SMR000009228
  • Oprea1_265067

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative 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 major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
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 307 aa 22.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
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 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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
Schistosoma mansoni hypothetical protein 0.0115 0.0393 1
Brugia malayi Inositol-1 0.0045 0.0099 0.251
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0044 0.0097 0.2455
Giardia lamblia Rab geranylgeranyltransferase 0.0023 0.001 0.0146
Schistosoma mansoni inositol monophosphatase 0.0045 0.0099 0.237
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0023 0.001 0.0065
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.017 0.1869
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0023 0.001 0.0065
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0044 0.0097 0.1031
Echinococcus granulosus geminin 0.0115 0.0393 0.4447
Mycobacterium ulcerans hypothetical protein 0.2414 0.9979 0.9979
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.017 0.4451
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0008 0.5
Trypanosoma cruzi protein farnesyltransferase, putative 0.0044 0.0097 0.1113
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.017 0.2018
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.017 0.2018
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.2414 0.9979 0.9979
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.011 0.0371 0.944
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0099 0.0091
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.017 0.4451
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0078 0.0236 0.0158
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.023 0.0874 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0099 0.251
Echinococcus multilocularis musashi 0.0033 0.0049 0.0474
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0044 0.0097 0.4107
Schistosoma mansoni lamin 0.0033 0.0049 0.1067
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.011 0.0371 1
Plasmodium vivax geranylgeranyltransferase, putative 0.0023 0.001 0.043
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0215 0.081 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.017 0.2018
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.017 0.1869
Schistosoma mansoni intermediate filament proteins 0.0033 0.0049 0.1067
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.011 0.0371 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.011 0.0371 0.944
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0065
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.0337 0.4111
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.003 0.0039 0.0391
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.2414 0.9979 0.9979
Trypanosoma cruzi protein farnesyltransferase, putative 0.0044 0.0097 0.1113
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.017 0.1869
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0044 0.0097 0.2455
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.2414 0.9979 0.9979
Trypanosoma brucei protein kinase, putative 0.0062 0.017 0.2018
Echinococcus granulosus tm gpcr rhodopsin 0.023 0.0874 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.017 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0099 0.237
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0044 0.0097 0.2455
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0099 0.3994
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0044 0.0097 0.1031
Trypanosoma cruzi lanosterol synthase, putative 0.0047 0.0109 0.1258
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.017 0.2018
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0044 0.0097 0.2455
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0044 0.0097 0.3907
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0044 0.0097 0.2455
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.017 0.4202
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.017 0.2018
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0099 0.3994
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.001 0.003
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.003 0.0039 0.0391
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0078 0.0236 0.0229
Trichomonas vaginalis hypothetical protein 0.0078 0.0236 0.6285
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0044 0.0097 0.3907
Loa Loa (eye worm) hypothetical protein 0.0033 0.0049 0.113
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0044 0.0097 0.2455
Trypanosoma brucei lanosterol synthase 0.0047 0.0109 0.1258
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.008 0.0072
Loa Loa (eye worm) hypothetical protein 0.0032 0.0046 0.1062
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0044 0.0097 0.2318
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0099 0.1138
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0023 0.001 0.003
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0023 0.001 0.0065
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0023 0.001 0.003
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0078 0.0236 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0044 0.0097 0.2455
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0049 0.113
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0044 0.0097 0.1113
Leishmania major mitochondrial DNA polymerase beta 0.0215 0.081 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.017 0.4451
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.017 0.2018
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.0065
Giardia lamblia Prenyltransferase 0.0044 0.0097 0.5516
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.2414 0.9979 0.9979
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0099 0.251
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.011 0.0371 0.4197
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.011 0.0371 0.4197
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0215 0.081 1
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.011 0.0371 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0099 0.251
Toxoplasma gondii hypothetical protein 0.0035 0.0058 0.2185
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.017 0.2018
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0044 0.0097 0.2455
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0037 0.0067 0.0735
Mycobacterium ulcerans putative regulatory protein 0.2414 0.9979 0.9979
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0023 0.001 0.0061
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0099 0.1054
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0099 0.1054
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.017 0.4451
Schistosoma mansoni hypothetical protein 0.0115 0.0393 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0099 0.1138
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0099 0.1138
Trypanosoma cruzi lanosterol synthase, putative 0.0047 0.0109 0.1258
Brugia malayi MAP kinase sur-1 0.0062 0.017 0.4451
Leishmania major lanosterol synthase, putative 0.0024 0.0012 0.0047
Schistosoma mansoni lamin 0.0033 0.0049 0.1067
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0023 0.001 0.0065
Plasmodium falciparum geranylgeranyltransferase, putative 0.0023 0.001 0.0104
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0023 0.001 0.0104
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.0337 0.4111
Onchocerca volvulus 0.0033 0.0049 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.017 0.4451
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0078 0.0236 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.003 0.0039 0.0391
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0215 0.081 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.2414 0.9979 0.9979
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0078 0.0236 0.0229
Echinococcus multilocularis geminin 0.0115 0.0393 0.4447
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0099 0.1138
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0023 0.001 0.0104
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0023 0.001 0.0104
Leishmania major geranylgeranyltransferase, putative 0.0023 0.001 0.003
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0099 0.251
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.017 0.1869
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0047 0.0109 0.0101
Echinococcus multilocularis lamin dm0 0.0033 0.0049 0.0474
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0023 0.001 0.043
Brugia malayi intermediate filament protein 0.0033 0.0049 0.113
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0049 0.113
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0078 0.0236 1
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0044 0.0097 0.2455
Loa Loa (eye worm) inositol-1 0.0045 0.0099 0.251
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.011 0.0371 1
Leishmania major farnesyltransferase beta subunit 0.0044 0.0097 0.1113
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.003 0.0039 0.0391
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.2414 0.9979 1
Echinococcus granulosus lamin 0.0033 0.0049 0.0474
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0078 0.0236 0.5
Mycobacterium ulcerans hypothetical protein 0.0113 0.0385 0.0378
Echinococcus granulosus lamin dm0 0.0033 0.0049 0.0474
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0023 0.001 0.0027
Onchocerca volvulus 0.0033 0.0049 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.017 0.7083
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0049 0.113
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.001 0.003
Plasmodium falciparum enoyl-acyl carrier reductase 0.0078 0.0236 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0102 0.0337 0.4111
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0008 0.0329
Echinococcus multilocularis lamin 0.0033 0.0049 0.0474
Echinococcus granulosus intermediate filament protein 0.0033 0.0049 0.0474
Mycobacterium tuberculosis Conserved hypothetical protein 0.0113 0.0385 0.0378

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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) 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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