Detailed information for compound 1459571

Basic information

Technical information
  • TDR Targets ID: 1459571
  • Name: (7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepi no[2,3-g]isoquinolin-8-yl)-(4-methylphenyl)me thanone
  • MW: 337.412 | Formula: C21H23NO3
  • H donors: 0 H acceptors: 1 LogP: 3.75 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1
  • InChi: 1S/C21H23NO3/c1-14-4-6-16(7-5-14)21(23)22-9-8-17-12-19-20(13-18(17)15(22)2)25-11-3-10-24-19/h4-7,12-13,15H,3,8-11H2,1-2H3
  • InChiKey: INQAOBBZVGIFOO-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related 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
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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0757 0.6164 1
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0047 0.0018
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.003 0.0001
Mycobacterium ulcerans hypothetical protein 0.0045 0.0315 0.0298
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0315 0.0298
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0184 0.1458 0.1458
Mycobacterium tuberculosis Possible lysophospholipase 0.0757 0.6164 1
Schistosoma mansoni hypothetical protein 0.0019 0.0105 0.0105
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0148 0.1161 0.1702
Loa Loa (eye worm) hypothetical protein 0.1225 1 1
Plasmodium falciparum lysophospholipase, putative 0.0045 0.0315 0.0298
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0045 0.0315 0.0491
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0045 0.0315 0.0315
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0233 0.0205
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.003 0.0001
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0148 0.1161 0.1702
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0315 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Trichomonas vaginalis lipase containing protein, putative 0.0166 0.1307 0.2104
Brugia malayi MGC79044 protein 0.0045 0.0315 0.0287
Trypanosoma brucei lipase domain protein, putative 0.0166 0.1307 0.1945
Plasmodium vivax alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0148 0.1161 1
Mycobacterium ulcerans lysophospholipase 0.0757 0.6164 1
Toxoplasma gondii phospholipase/carboxylesterase 0.0045 0.0315 0.461
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0525 0.0647
Plasmodium vivax lysophospholipase, putative 0.0045 0.0315 0.0298
Plasmodium falciparum esterase, putative 0.0757 0.6164 1
Trypanosoma brucei monoglyceride lipase, putative 0.0757 0.6164 1
Schistosoma mansoni ap endonuclease 0.0023 0.0135 0.0135
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0148 0.1161 0.1702
Plasmodium falciparum alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.025 0.025
Brugia malayi MGC83647 protein 0.0045 0.0315 0.0287
Plasmodium falciparum lysophospholipase, putative 0.0757 0.6164 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0525 0.0647
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.1307 0.1945
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0148 0.1161 1
Mycobacterium ulcerans amidase 0.0148 0.1161 0.1702
Toxoplasma gondii hypothetical protein 0.0045 0.0315 0.461
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0757 0.6164 1
Schistosoma mansoni ap endonuclease 0.0023 0.0135 0.0135
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0757 0.6164 1
Loa Loa (eye worm) lipase 0.0166 0.1307 0.1282
Schistosoma mansoni hypothetical protein 0.0494 0.4003 0.4003
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0148 0.1161 0.1702
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.025 0.025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0105 0.0076
Mycobacterium ulcerans hypothetical protein 0.0045 0.0315 0.0298
Plasmodium vivax lysophospholipase, putative 0.0045 0.0315 0.0298
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4003 0.3985
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1225 1 1
Echinococcus multilocularis geminin 0.0205 0.1628 0.1604
Echinococcus multilocularis GPCR, family 2 0.0019 0.0105 0.0076
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0148 0.1161 0.1135
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0757 0.6164 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0105 0.0076
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0045 0.0315 0.0491
Mycobacterium ulcerans hypothetical protein 0.0757 0.6164 1
Leishmania major hypothetical protein, conserved 0.0045 0.0315 0.0298
Mycobacterium ulcerans hydrolase 0.0045 0.0315 0.0298
Entamoeba histolytica ;Alias 0.0045 0.0315 0.0298
Leishmania major hypothetical protein, conserved 0.0148 0.1161 0.1702
Schistosoma mansoni hypothetical protein 0.0019 0.0105 0.0105
Plasmodium vivax PST-A protein 0.0045 0.0315 0.0298
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0498 0.9319
Schistosoma mansoni smad1 5 8 and 0.001 0.0029 0.0029
Toxoplasma gondii hypothetical protein 0.0045 0.0315 0.461
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Loa Loa (eye worm) hypothetical protein 0.006 0.0442 0.0415
Brugia malayi MH2 domain containing protein 0.0144 0.1132 0.1106
Brugia malayi putative amidase 0.0148 0.1161 0.1135
Schistosoma mansoni amidase 0.1225 1 1
Mycobacterium ulcerans amidase 0.0148 0.1161 0.1702
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0148 0.1161 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.003 0.0001
Plasmodium falciparum lysophospholipase, putative 0.0757 0.6164 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0148 0.1161 0.1702
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0525 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0757 0.6164 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0442 0.0415
Plasmodium vivax unspecified product 0.0045 0.0315 0.0298
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0757 0.6164 1
Plasmodium vivax unspecified product 0.0045 0.0315 0.0298
Schistosoma mansoni peptidase 0.0045 0.0315 0.0315
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0148 0.1161 0.1702
Loa Loa (eye worm) hypothetical protein 0.0041 0.0286 0.0258
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0135 0.0106
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0045 0.0315 0.0491
Loa Loa (eye worm) hypothetical protein 0.0045 0.0315 0.0287
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0047 0.0018
Plasmodium vivax PST-A protein 0.0757 0.6164 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0563 0.0563
Plasmodium falciparum lysophospholipase, putative 0.0045 0.0315 0.0298
Schistosoma mansoni hypothetical protein 0.0041 0.0286 0.0286
Plasmodium falciparum alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Loa Loa (eye worm) hypothetical protein 0.0037 0.025 0.0222
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0442 0.0415
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Plasmodium falciparum BEM46-like protein, putative 0.0045 0.0315 0.0298
Entamoeba histolytica hypothetical protein 0.0045 0.0315 0.0298
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1132 0.1106
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0757 0.6164 1
Echinococcus multilocularis abhydrolase domain containing 3 0.0045 0.0315 0.0287
Plasmodium falciparum alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0286 0.0258
Toxoplasma gondii protein c14orf29, putative 0.0045 0.0315 0.461
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0045 0.0315 0.0298
Mycobacterium ulcerans amidase 0.0148 0.1161 0.1702
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0045 0.0315 0.0491
Mycobacterium ulcerans amidase 0.0148 0.1161 0.1702
Trypanosoma brucei monoglyceride lipase, putative 0.0757 0.6164 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0135 0.0198
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1225 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0249 0.0249
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0166 0.1307 0.1282
Leishmania major monoglyceride lipase, putative 0.0757 0.6164 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0045 0.0315 0.0287
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0045 0.0315 0.0298
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0757 0.6164 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0045 0.0315 0.0491
Plasmodium falciparum epoxide hydrolase 2 0.0045 0.0315 0.0298
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0148 0.1161 0.1161
Echinococcus granulosus geminin 0.0205 0.1628 0.1604
Plasmodium vivax PST-A protein 0.0045 0.0315 0.0298
Loa Loa (eye worm) amidase 0.0148 0.1161 0.1135
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0757 0.6164 1
Echinococcus granulosus cpg binding protein 0.0037 0.0249 0.0221
Brugia malayi CXXC zinc finger family protein 0.0035 0.0233 0.0205
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0135 0.0198
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0045 0.0315 0.0298
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0045 0.0315 0.0298
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0148 0.1161 0.1135
Trypanosoma cruzi serine peptidase, putative 0.0045 0.0315 0.0298
Schistosoma mansoni cpg binding protein 0.0035 0.0233 0.0233
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2017 0.1994
Plasmodium falciparum esterase, putative 0.0045 0.0315 0.0298
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.025 0.2964
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.025 0.0222
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0148 0.1161 0.1702
Plasmodium vivax PST-A protein 0.0045 0.0315 0.0298
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.003 0.0001
Trypanosoma cruzi amidase, putative 0.0148 0.1161 0.1702
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.025 0.025
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0166 0.1307 0.1282
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0525 0.0525
Toxoplasma gondii phospholipase 0.0045 0.0315 0.461
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0105 0.0076
Brugia malayi Amidase family protein 0.0148 0.1161 0.1135
Echinococcus granulosus fatty acid amide hydrolase 1 0.1225 1 1
Mycobacterium ulcerans amidase 0.0148 0.1161 0.1702
Schistosoma mansoni smad 0.001 0.0029 0.0029
Plasmodium falciparum exported lipase 1 0.0045 0.0315 0.0298
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2302 0.3722
Schistosoma mansoni hypothetical protein 0.0019 0.0105 0.0105
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0135 0.0106
Toxoplasma gondii peptidase S15, putative 0.0045 0.0315 0.461
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.025 0.0222
Loa Loa (eye worm) hypothetical protein 0.0019 0.0105 0.0076
Echinococcus granulosus abhydrolase domain containing 3 0.0045 0.0315 0.0287
Brugia malayi Protein C20orf22 0.0045 0.0315 0.0287
Echinococcus multilocularis Phospholipase carboxylesterase 0.0045 0.0315 0.0287
Plasmodium vivax PST-A protein 0.0045 0.0315 0.0298
Loa Loa (eye worm) hypothetical protein 0.0045 0.0315 0.0287
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0045 0.0315 0.0298
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0045 0.0315 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0757 0.6164 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.025 0.0222
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0045 0.0315 0.0298
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0045 0.0315 0.0315
Toxoplasma gondii hypothetical protein 0.0045 0.0315 0.461
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0045 0.0315 0.0491
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0525 0.0498
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0046 0.0017
Echinococcus multilocularis ankyrin repeat protein 0.0184 0.1458 0.1434
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.003 0.003
Brugia malayi Pre-SET motif family protein 0.0252 0.2017 0.1994
Schistosoma mansoni smad1 5 8 and 0.001 0.0029 0.0029
Plasmodium vivax lysophospholipase, putative 0.0045 0.0315 0.0298
Echinococcus granulosus fatty acid amide hydrolase 1 0.1225 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0047 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0442 0.0415
Echinococcus multilocularis cpg binding protein 0.0037 0.0249 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.1307 0.1945
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0315 0.0298
Schistosoma mansoni fatty-acid amide hydrolase 0.1225 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0045 0.0315 0.0491
Brugia malayi Amidase family protein 0.0148 0.1161 0.1135
Plasmodium vivax SET domain protein, putative 0.0037 0.025 0.0192
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0045 0.0315 0.0298
Loa Loa (eye worm) hypothetical protein 0.0045 0.0315 0.0287
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0045 0.0315 0.461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0525 0.0498
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0045 0.0315 0.0298
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0148 0.1161 0.1135
Onchocerca volvulus 0.0037 0.025 0.0084
Echinococcus granulosus transient receptor potential cation channel 0.0184 0.1458 0.1434
Schistosoma mansoni hypothetical protein 0.0205 0.1628 0.1628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0315 0.0287
Plasmodium falciparum exported lipase 2 0.0045 0.0315 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0148 0.1161 0.1702
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0525 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1132 0.1106
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0148 0.1161 0.1702
Plasmodium vivax alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Trypanosoma cruzi serine peptidase, putative 0.0045 0.0315 0.0298
Echinococcus multilocularis transient receptor potential cation channel 0.0184 0.1461 0.1436
Mycobacterium ulcerans peptide amidase, GatA 0.0148 0.1161 0.1702
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0135 0.0106
Brugia malayi Pre-SET motif family protein 0.0037 0.025 0.0222
Schistosoma mansoni hypothetical protein 0.0019 0.0105 0.0105
Onchocerca volvulus 0.0287 0.2305 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0029 0.0029
Trypanosoma cruzi monoglyceride lipase, putative 0.0757 0.6164 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0029 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Onchocerca volvulus 0.0166 0.1307 0.5185
Trichomonas vaginalis lipase containing protein, putative 0.0166 0.1307 0.2104
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0045 0.0315 0.461
Loa Loa (eye worm) amidase 0.0148 0.1161 0.1135
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4003 0.3985
Trypanosoma brucei lipase domain protein, putative 0.0166 0.1307 0.1945
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0233 0.0205
Brugia malayi Lipase family protein 0.0166 0.1307 0.1282
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0045 0.0315 0.0287
Leishmania major hypothetical protein, conserved 0.0045 0.0315 0.0298
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0525 0.0525
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0315 0.0298
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0045 0.0315 0.0287
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0105 0.0076
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0525 0.0647
Echinococcus granulosus GPCR family 2 0.0019 0.0105 0.0076
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0105 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Plasmodium falciparum alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Plasmodium falciparum prodrug activation and resistance esterase 0.0045 0.0315 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.025 0.025
Plasmodium falciparum esterase, putative 0.0045 0.0315 0.0298
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0315 0.0287
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0105 0.0076
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0045 0.0315 0.0491
Plasmodium falciparum alpha/beta hydrolase, putative 0.0045 0.0315 0.0298
Toxoplasma gondii hypothetical protein 0.0045 0.0315 0.461
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0045 0.0315 0.0298
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0135 0.0106
Schistosoma mansoni Smad4 0.001 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0205 0.1628 0.1628
Trypanosoma cruzi amidase, putative 0.0148 0.1161 0.1702
Plasmodium vivax PST-A protein 0.0045 0.0315 0.0298
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0045 0.0315 0.0298
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0045 0.0315 0.0298
Echinococcus granulosus ankyrin repeat protein 0.0184 0.1458 0.1434
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0315 0.0491
Plasmodium falciparum lysophospholipase, putative 0.0757 0.6164 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0148 0.1161 0.1161
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0045 0.0315 0.0491
Trichomonas vaginalis conserved hypothetical protein 0.0757 0.6164 1
Echinococcus granulosus abhydrolase domain containing protein 13 0.0045 0.0315 0.0287
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0045 0.0315 0.0298
Leishmania major hypothetical protein, conserved 0.0166 0.1307 0.1945
Entamoeba histolytica hypothetical protein 0.0045 0.0315 0.0298
Schistosoma mansoni cpg binding protein 0.0037 0.0249 0.0249
Echinococcus granulosus fatty acid amide hydrolase 1 0.0148 0.1161 0.1135
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0045 0.0315 0.461
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0105 0.0076

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2119 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 Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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