Detailed information for compound 1381649

Basic information

Technical information
  • TDR Targets ID: 1381649
  • Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-morph olin-4-ylethyl)-6,8-dioxo-5-phenylisoquinolin -7-yl] cyclopentanecarboxylate
  • MW: 576.68 | Formula: C33H40N2O7
  • H donors: 0 H acceptors: 4 LogP: 3.78 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)CCCc1cc2=C(c3ccccc3)C(=O)C(C(=O)c2cn1CCN1CCOCC1)(C)OC(=O)C1CCCC1
  • InChi: 1S/C33H40N2O7/c1-33(42-32(39)24-11-6-7-12-24)30(37)27-22-35(16-15-34-17-19-41-20-18-34)25(13-8-14-28(36)40-2)21-26(27)29(31(33)38)23-9-4-3-5-10-23/h3-5,9-10,21-22,24H,6-8,11-20H2,1-2H3
  • InChiKey: RVVAQVTZCNJVHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(4-methoxy-4-oxo-butyl)-7-methyl-2-(2-morpholinoethyl)-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate
  • cyclopentanecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-morpholinoethyl)-6,8-dioxo-5-phenyl-7-isoquinolyl] ester
  • cyclopentanecarboxylic acid [6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-2-(2-morpholinoethyl)-5-phenyl-7-isoquinolyl] ester
  • [3-(4-methoxy-4-oxo-butyl)-7-methyl-2-(2-morpholin-4-ylethyl)-6,8-dioxo-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate
  • MLS001045881
  • SMR000452776
  • NCGC00162598-01
  • CMLD004010

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium parvum conserved hypothetical protein 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis ap endonuclease, putative 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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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 japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Schistosoma mansoni ap endonuclease 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Treponema pallidum exodeoxyribonuclease (exoA) 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni ap endonuclease 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum subtilisin-like protease 1 0.0031 0.033 1
Schistosoma mansoni cpg binding protein 0.0035 0.039 0.0258
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0135 0.0133
Echinococcus granulosus dnaJ subfamily B 0.0494 0.7818 0.7818
Brugia malayi jmjC domain containing protein 0.0071 0.0977 0.0977
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0977 0.1248
Schistosoma mansoni ap endonuclease 0.0023 0.0196 0.0062
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0196 0.0196
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0891 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0031 0.033 0.0328
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0196 0.0248
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0394 0.6199 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0031 0.033 0.0553
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.2229 0.2227
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1009 0.1007
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.1009 0.1007
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.2229 0.2849
Loa Loa (eye worm) hypothetical protein 0.018 0.2747 0.2745
Echinococcus multilocularis neuroendocrine convertase 2 0.0406 0.6399 0.8185
Trypanosoma brucei subtilisin peptidase 0.0031 0.033 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Loa Loa (eye worm) endoprotease bli-4 0.0629 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0977 0.1248
Trypanosoma cruzi subtilisin peptidase 0.0031 0.033 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5538 1
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Brugia malayi Muscleblind-like protein 0.018 0.2747 0.2747
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1019 0.0896
Loa Loa (eye worm) hypothetical protein 0.0031 0.033 0.0328
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0135 0.017
Echinococcus granulosus phd:f box containing protein 0.0019 0.0135 0.0133
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0031 0.033 0.0553
Loa Loa (eye worm) subtilase 0.0031 0.033 0.0328
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0031 0.033 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Leishmania major subtilisin-like serine peptidase 0.0031 0.033 1
Plasmodium falciparum subtilisin-like protease 3 0.0031 0.033 1
Toxoplasma gondii subtilisin SUB10 0.0031 0.033 0.2577
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.033 0.0223
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0135 0.0133
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0135 0.0133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0977 0.0854
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0196 0.3129
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0135 0.017
Giardia lamblia Furin precursor putative serine protease 0.014 0.2098 0.356
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.2229 0.2229
Brugia malayi jmjC domain containing protein 0.0019 0.0135 0.0135
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0031 0.033 0.0553
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.033 0.0223
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0167 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.033 0.0223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0394 0.6199 0.6199
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Echinococcus multilocularis muscleblind protein 0.018 0.2747 0.3511
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0031 0.033 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Echinococcus granulosus neuroendocrine convertase 2 0.0406 0.6399 0.6399
Echinococcus granulosus muscleblind protein 0.018 0.2747 0.2745
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0629 1 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.3629 0.3628
Brugia malayi Subtilase family protein 0.0031 0.033 0.033
Toxoplasma gondii subtilisin SUB2 0.0031 0.033 0.2577
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Brugia malayi jmjC domain containing protein 0.0019 0.0135 0.0135
Onchocerca volvulus 0.0035 0.039 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0977 0.0975
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.7818 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0031 0.033 0.0419
Toxoplasma gondii exonuclease III APE 0.0023 0.0196 0.0806
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0135 0.017
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0031 0.033 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0196 0.3129
Toxoplasma gondii subtilisin SUB4 0.0031 0.033 0.2577
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.5538 1
Toxoplasma gondii subtilisin SUB7 0.0031 0.033 0.2577
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0031 0.033 0.0419
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Echinococcus multilocularis cpg binding protein 0.0037 0.0422 0.0537
Toxoplasma gondii subtilisin SUB5 0.0031 0.033 0.2577
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.039 0.0388
Giardia lamblia High cysteine membrane protein Group 2 0.0223 0.3429 0.6053
Brugia malayi proprotein convertase 2 0.0406 0.6399 0.6399
Schistosoma mansoni site-1 peptidase (S08 family) 0.0031 0.033 0.0198
Schistosoma mansoni tyrosine kinase 0.0148 0.2229 0.2123
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Trichomonas vaginalis hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0031 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.018 0.2747 0.2745
Toxoplasma gondii subtilisin SUB8 0.0031 0.033 0.2577
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.033 0.0223
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0031 0.033 0.0553
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0031 0.033 0.0553
Plasmodium vivax subtilisin-like protease 1 0.0031 0.033 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0135 0.017
Echinococcus granulosus Furin 1 0.0171 0.2599 0.2597
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Loa Loa (eye worm) hypothetical protein 0.0629 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1009 0.0886
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0031 0.033 0.033
Brugia malayi jmjC domain containing protein 0.0019 0.0135 0.0135
Brugia malayi neuroendocrine convertase 1 precursor 0.0406 0.6399 0.6399
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0031 0.033 1
Brugia malayi jmjC domain containing protein 0.0019 0.0135 0.0135
Onchocerca volvulus 0.0031 0.0333 0.0488
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0031 0.033 0.0553
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0171 0.2599 0.4002
Schistosoma mansoni hypothetical protein 0.0494 0.7818 0.7788
Echinococcus granulosus furin 0.0629 1 1
Echinococcus multilocularis 0.0489 0.7731 0.9888
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Loa Loa (eye worm) proprotein convertase 2 0.0171 0.2599 0.2597
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0196 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0422 0.0291
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.5538 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2618 1
Echinococcus granulosus membrane bound transcription factor site 1 0.0031 0.033 0.0328
Schistosoma mansoni hypothetical protein 0.014 0.2098 0.1989
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0031 0.033 0.0553
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.0133
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Toxoplasma gondii subtilisin SUB1 0.0031 0.033 0.2577
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0196 0.0194
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0135 0.0133
Plasmodium vivax subtilisin-like serine protease, putative 0.0031 0.033 1
Toxoplasma gondii subtilisin SUB6 0.0031 0.033 0.2577
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2618 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Trichomonas vaginalis conserved hypothetical protein 0.014 0.2098 0.3167
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.014 0.2098 0.3167
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Schistosoma mansoni site-1 peptidase (S08 family) 0.0031 0.033 0.0198
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0196 0.3129
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.5538 1
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.014 0.2098 0.3167
Plasmodium vivax subtilisin-like protease 2, putative 0.0031 0.033 1
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0135 0.0133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Brugia malayi jmjC domain containing protein 0.0073 0.1009 0.1009
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0196 0.3129
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0031 0.033 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0196 0.3129
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0394 0.6199 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0196 0.0194
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.0133
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.014 0.2098 0.3167
Plasmodium falciparum subtilisin-like protease 2 0.0031 0.033 1
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0135 0.0133
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2618 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.033 0.0223
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0167 0.0211
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.5538 0.8898
Toxoplasma gondii subtilisin SUB9 0.0031 0.033 0.2577
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Echinococcus multilocularis muscleblind protein 1 0.018 0.2747 0.3511
Toxoplasma gondii subtilisin SUB12 0.0031 0.033 0.2577
Schistosoma mansoni cpg binding protein 0.0037 0.0422 0.0291
Toxoplasma gondii subtilisin SUB11 0.0031 0.033 0.2577
Loa Loa (eye worm) hypothetical protein 0.0019 0.0135 0.0133
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0171 0.2599 0.2498
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0196 0.3129
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0031 0.033 0.0223
Schistosoma mansoni furin-1 (S08 family) 0.0266 0.4131 0.405
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0031 0.033 0.0198
Brugia malayi CXXC zinc finger family protein 0.0035 0.039 0.039
Echinococcus multilocularis Furin 1 0.0171 0.2599 0.3322
Brugia malayi celfurPC protein 0.0489 0.7731 0.7731
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0394 0.6199 0.7929
Echinococcus granulosus cpg binding protein 0.0037 0.0422 0.0419
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.2229 0.2227
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1009 0.0886
Schistosoma mansoni ap endonuclease 0.0023 0.0196 0.0062

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0224 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9716 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 5 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 14.7157 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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