Detailed information for compound 1295740

Basic information

Technical information
  • TDR Targets ID: 1295740
  • Name: 6,7-dimethoxy-1-methylspiro[4H-isoquinoline-3 ,1'-cyclohexane]; 2-hydroxybenzoic acid
  • MW: 411.491 | Formula: C24H29NO5
  • H donors: 2 H acceptors: 3 LogP: 4.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccccc1O.COc1cc2CC3(CCCCC3)N=C(c2cc1OC)C
  • InChi: 1S/C17H23NO2.C7H6O3/c1-12-14-10-16(20-3)15(19-2)9-13(14)11-17(18-12)7-5-4-6-8-17;8-6-4-2-1-3-5(6)7(9)10/h9-10H,4-8,11H2,1-3H3;1-4,8H,(H,9,10)
  • InChiKey: SKJUEXTXALPWNG-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 6,7-dimethoxy-1-methyl-spiro[4H-isoquinoline-3,1'-cyclohexane]; 2-hydroxybenzoic acid
  • 6,7-dimethoxy-1-methyl-spiro[4H-isoquinoline-3,1'-cyclohexane]; salicylic acid
  • MLS001030142
  • SMR000425579

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae Rce1p Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Saccharomyces cerevisiae Ste24p Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Peptidase family M48 containing protein Get druggable targets OG5_127953 All targets in OG5_127953
Candida albicans likely metallopeptidase similar to S. cerevisiae STE24 (YJR117W) involved in the proteolytic maturation of a-factor Get druggable targets OG5_127953 All targets in OG5_127953
Brugia malayi CAAX amino terminal protease family protein Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) Get druggable targets OG5_127953 All targets in OG5_127953
Leishmania donovani CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi exodeoxyribonuclease III family protein 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
Echinococcus granulosus CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Entamoeba histolytica CAAX prenyl protease, putative Get druggable targets OG5_127953 All targets in OG5_127953
Echinococcus multilocularis CAAX prenyl protease 2 Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana mitogen-activated protein kinase 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_127953 All targets in OG5_127953
Cryptosporidium hominis MAPK 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
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma congolense CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, 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 CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Loa Loa (eye worm) peptidase family M48 containing protein Get druggable targets OG5_127953 All targets in OG5_127953
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129169 All targets in OG5_129169
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis CAAX metallo endopeptidase, putative Get druggable targets OG5_127953 All targets in OG5_127953
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis caax prenyl protease 1 Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma brucei gambiense CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48), putative Get druggable targets OG5_129169 All targets in OG5_129169
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii CAAX metallo endopeptidase Get druggable targets OG5_127953 All targets in OG5_127953
Leishmania braziliensis CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi CAAX prenyl protease 1, putative Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Neospora caninum hypothetical protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni family U48 unassigned peptidase (U48 family) Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase Get druggable targets OG5_127953 All targets in OG5_127953
Leishmania infantum CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis CAAX prenyl protease Get druggable targets OG5_127953 All targets in OG5_127953
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum peptidase family M48 domain-containing protein, putative Get druggable targets OG5_127953 All targets in OG5_127953
Leishmania donovani metallo- peptidase, Clan M- Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica CAAX prenyl protease family Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum ko:K06013 STE24 endopeptidase [EC3.4.24.84], putative Get druggable targets OG5_127953 All targets in OG5_127953
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei CAAX amino terminal protease, putative Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans ras and a-factor terminal proteolysis Get druggable targets OG5_129169 All targets in OG5_129169
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense metallo- peptidase, Clan M- Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Candida albicans likely metallopeptidase similar to S. cerevisiae STE24 (YJR117W) involved in the proteolytic maturation of a-factor Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma cruzi mitogen activated protein kinase 2, putative 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 brucei gambiense CAAX prenyl protease 1, putative,metallo- peptidase, Clan M- Family M48 Get druggable targets OG5_127953 All targets in OG5_127953
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K08658 prenyl protein peptidase, putative Get druggable targets OG5_129169 All targets in OG5_129169
Schistosoma japonicum expressed protein Get druggable targets OG5_129169 All targets in OG5_129169
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 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
Giardia lamblia Kinase, CMGC MAPK 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
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) Get druggable targets OG5_129169 All targets in OG5_129169
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi CAAX prenyl protease 2, putative Get druggable targets OG5_129169 All targets in OG5_129169
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Echinococcus granulosus caax prenyl protease 1 Get druggable targets OG5_127953 All targets in OG5_127953
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis mitogen activated protein kinase 3 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Theileria parva CAAX prenyl protease 1, putative Get druggable targets OG5_127953 All targets in OG5_127953
Schistosoma japonicum Mitogen-activated protein kinase 3, putative 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 mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.0023 0.0204 0.0032
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0602 0.1554
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.134 0.4414
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0082 0.1939 0.1774
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0602 0.0409
Echinococcus granulosus CAAX prenyl protease 2 0.0111 0.2781 0.6401
Loa Loa (eye worm) hypothetical protein 0.0182 0.4864 0.4864
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0602 0.1385
Brugia malayi Peptidase family M48 containing protein 0.0082 0.1939 0.1939
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1006 0.1006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1327 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1327 1
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0082 0.1939 0.1774
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0201 0.0462
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0602 0.2307
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0602 0.1554
Echinococcus multilocularis caax prenyl protease 1 0.0082 0.1939 0.4463
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.4345 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.134 0.3083
Loa Loa (eye worm) peptidase family M48 containing protein 0.0082 0.1939 0.1939
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0201 0.0201
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0111 0.2781 0.2633
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0111 0.2781 0.2633
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.4345 0.4345
Mycobacterium tuberculosis Probable integral membrane protein 0.0023 0.0204 0.0032
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.134 0.3645
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0201 0.0462
Toxoplasma gondii hypothetical protein 0.0023 0.0204 0.0021
Schistosoma mansoni ap endonuclease 0.0023 0.0201 0.0546
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1006 0.1006
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.1327 0.3054
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.4864 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.4883 0.4883
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.4345 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.134 0.1162
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.134 0.3083
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.134 0.6553
Toxoplasma gondii CAAX amino terminal protease family protein 0.0023 0.0204 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1006 0.1006
Plasmodium falciparum protease, putative 0.0023 0.0204 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0602 0.1637
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0082 0.1939 0.1774
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.134 0.1162
Loa Loa (eye worm) hypothetical protein 0.0034 0.054 0.054
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.4345 0.4345
Echinococcus granulosus caax prenyl protease 1 0.0082 0.1939 0.4463
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0023 0.0204 0.0032
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0201 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.2781 0.7567
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.134 0.1162
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0602 0.0602
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0602 0.1554
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0111 0.2781 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0023 0.0204 0.0032
Toxoplasma gondii CAAX metallo endopeptidase 0.0082 0.1939 1
Schistosoma mansoni alpha-glucosidase 0.0141 0.3675 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.134 0.4414
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0602 0.1554
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.134 0.1162
Entamoeba histolytica CAAX prenyl protease family 0.0111 0.2781 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0602 0.1385
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0602 0.1554
Trypanosoma brucei CAAX amino terminal protease, putative 0.0111 0.2781 0.2633
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0602 0.1554
Echinococcus multilocularis CAAX prenyl protease 2 0.0111 0.2781 0.6401
Trypanosoma brucei protein kinase, putative 0.0062 0.134 0.1162
Entamoeba histolytica CAAX prenyl protease, putative 0.0082 0.1939 0.6737
Brugia malayi MAP kinase sur-1 0.0062 0.134 0.134
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0602 0.0409
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1327 0.3611
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.134 0.4414
Entamoeba histolytica CAAX amino terminal protease family 0.0023 0.0204 0.0014
Brugia malayi N-terminal motif family protein 0.0182 0.4864 0.4864
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.134 0.1162
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.134 0.134
Giardia lamblia Hypothetical protein 0.0111 0.2781 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0204 0.0032
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.134 0.4414
Mycobacterium ulcerans integral membrane protein 0.0023 0.0204 0.0032
Schistosoma mansoni alpha-glucosidase 0.0141 0.3675 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2781 0.2781
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.134 0.3083
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1327 0.3611
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1327 0.3054
Plasmodium vivax protease, putative 0.0023 0.0204 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.134 0.1162
Schistosoma mansoni hypothetical protein 0.0034 0.054 0.1471
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.134 0.4414
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1327 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1327 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0111 0.2781 0.7567
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1327 0.115
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.4345 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0602 0.0409
Chlamydia trachomatis hypothetical protein 0.0023 0.0204 0.5
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0082 0.1939 0.1774
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1327 0.6481
Schistosoma mansoni ap endonuclease 0.0023 0.0201 0.0546
Brugia malayi CAAX amino terminal protease family protein 0.0111 0.2781 0.2781
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0602 0.1554
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0602 0.1554
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0602 0.1554
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0204 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0329 0.0496
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0082 0.1939 0.6737
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.054 0.054
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0111 0.2781 0.2633
Treponema pallidum hypothetical protein 0.0023 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1006 0.1006
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0602 0.1554
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0082 0.1939 0.5276
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0602 0.0602
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.134 0.1162
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0329 0.0496
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0602 0.1554
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.134 0.3083
Trypanosoma brucei glucosidase, putative 0.0036 0.0602 0.0409
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0201 0.0201
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0082 0.1939 0.6737
Toxoplasma gondii hypothetical protein 0.0023 0.0204 0.0021
Entamoeba histolytica CAAX amino terminal protease family 0.0023 0.0204 0.0014

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 6.869 uM PUBCHEM_BIOASSAY: Ras-converting Enzyme/Cell Proliferation Pathway Measured in Biochemical System Using Plate Reader - 2034-01_Inhibitor_Dose_CherryPick. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
AC50 (binding) = 8.719 uM PUBCHEM_BIOASSAY: Ste24 Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-03_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618] ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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