Detailed information for compound 1333965

Basic information

Technical information
  • TDR Targets ID: 1333965
  • Name: 5a-amino-3,6-dioxido-7-phenyl-5,8-dihydro-4H- pyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium -8a-ol
  • MW: 302.285 | Formula: C14H14N4O4
  • H donors: 2 H acceptors: 4 LogP: -1.03 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+]1=C(CC2(C1(N)CCc1c2no[n+]1[O-])O)c1ccccc1
  • InChi: 1S/C14H14N4O4/c15-14-7-6-10-12(16-22-18(10)21)13(14,19)8-11(17(14)20)9-4-2-1-3-5-9/h1-5,19H,6-8,15H2
  • InChiKey: QHLQGVUONBZFTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000137323
  • CBDivE_016218
  • 5a-amino-7-phenyl-4,5,5a,8-tetrahydro-8aH-[1,2,5]oxadiazolo[3,4-e]indol-8a-ol 3,6-dioxide
  • MLS000532365

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 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
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum conserved hypothetical protein 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
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii putative AP endonuclease-related 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.1046
Entamoeba histolytica hypothetical protein 0.0036 0.0411 0.0865
Onchocerca volvulus Cell death protein 3 homolog 0.0026 0.0113 0.0101
Schistosoma mansoni caspase-7 (C14 family) 0.0098 0.2408 0.5068
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Schistosoma mansoni hypothetical protein 0.0169 0.4654 0.9798
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0274 0.0376
Loa Loa (eye worm) hypothetical protein 0.0031 0.0274 0.0376
Loa Loa (eye worm) hypothetical protein 0.0068 0.1432 0.1965
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1818 0.4112
Loa Loa (eye worm) Ulp1 protease 0.0091 0.2185 0.2997
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0113 0.0256
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0063 0.1285 0.1285
Loa Loa (eye worm) hypothetical protein 0.0026 0.0113 0.0155
Trichomonas vaginalis Sentrin-specific protease, putative 0.0091 0.2185 0.2602
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.729 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0063 0.1285 0.153
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0063 0.1285 0.1285
Leishmania major metacaspase, putative 0.0026 0.0113 0.0256
Plasmodium vivax metacaspase 1, putative 0.0026 0.0113 0.0256
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Echinococcus granulosus sentrin specific protease 7 0.0172 0.475 0.475
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0274 0.0274
Schistosoma mansoni hypothetical protein 0.0031 0.0274 0.0577
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Echinococcus multilocularis caspase 0.0098 0.2408 0.2408
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.153
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.153
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.2431 0.3334
Trypanosoma brucei metacaspase MCA2 0.0026 0.0113 0.0256
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0161 0.4421 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0425 0.0425
Plasmodium vivax sentrin-specific protease 2, putative 0.0038 0.0497 0.1124
Echinococcus granulosus sentrin specific protease 8 0.0091 0.2185 0.2185
Echinococcus granulosus GPCR family 2 0.0031 0.0274 0.0274
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0026 0.0113 0.0238
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0411 0.0411
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0028 0.0064
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0161 0.4421 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0091 0.2185 0.46
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0091 0.2185 0.2602
Plasmodium vivax SET domain protein, putative 0.0036 0.0425 0.0962
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0064
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0747 0.0747
Entamoeba histolytica hypothetical protein 0.0036 0.0411 0.0865
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.1046
Entamoeba histolytica hypothetical protein 0.0036 0.0411 0.0865
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0161 0.4421 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.1046
Onchocerca volvulus 0.0049 0.0845 0.0976
Schistosoma mansoni hypothetical protein 0.0068 0.1432 0.3016
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0274 0.0274
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.1046
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0161 0.4421 0.6064
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1818 0.3827
Loa Loa (eye worm) Ulp1 protease 0.0038 0.0497 0.0681
Echinococcus multilocularis caspase 3 0.0072 0.157 0.157
Loa Loa (eye worm) hypothetical protein 0.0038 0.0497 0.0681
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0425 0.0425
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0.0497 0.1124
Trypanosoma cruzi hypothetical protein 0.0091 0.2185 0.4942
Schistosoma mansoni hypothetical protein 0.0036 0.0411 0.0865
Plasmodium falciparum sentrin-specific protease 1 0.0038 0.0497 0.1124
Plasmodium vivax hypothetical protein, conserved 0.0026 0.0113 0.0256
Schistosoma mansoni caspase-3 (C14 family) 0.0098 0.2408 0.5068
Echinococcus multilocularis caspase 8 0.0026 0.0113 0.0113
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0038 0.0497 0.1124
Echinococcus multilocularis sentrin specific protease 8 0.0091 0.2185 0.2185
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0028 0.0059
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0028 0.0064
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.0064
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.0064
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0172 0.475 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0425 0.0425
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0039
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0028 0.0064
Schistosoma mansoni hypothetical protein 0.0031 0.0274 0.0577
Onchocerca volvulus 0.0038 0.0497 0.056
Echinococcus multilocularis expressed conserved protein 0.0133 0.3529 0.3529
Trypanosoma brucei metacaspase 5, putative 0.0026 0.0113 0.0256
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0425 0.0895
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0063 0.1285 0.2705
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0039
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0161 0.4421 0.6064
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0091 0.2185 0.2602
Echinococcus multilocularis sentrin specific protease 7 0.0172 0.475 0.475
Echinococcus granulosus sentrin specific protease 1 0.0038 0.0497 0.0497
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0425 0.0895
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0098 0.2408 0.2408
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0161 0.4421 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1432 0.1965
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0038 0.0497 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0161 0.4421 1
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0845 0.178
Onchocerca volvulus 0.0036 0.0425 0.0474
Trypanosoma brucei metacaspase 0.0026 0.0113 0.0256
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1818 0.3827
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.0113 0.0256
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0063 0.1285 0.1285
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0038 0.0497 0.1124
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0161 0.4421 1
Trypanosoma cruzi metacaspase, putative 0.0026 0.0113 0.0256
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.2431 0.3334
Echinococcus multilocularis GPCR, family 2 0.0031 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0099 0.2431 0.3334
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Trypanosoma brucei SUMO1/Ulp2, putative 0.0038 0.0497 0.1124
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.2906
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0063 0.1285 0.1285
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0091 0.2185 0.2997
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0425 0.0962
Trypanosoma brucei Metacaspase-4 0.0026 0.0113 0.0256
Schistosoma mansoni hypothetical protein 0.0169 0.4654 0.9798
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0039
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0028 0.0064
Brugia malayi Zinc finger, C2H2 type family protein 0.0063 0.1285 0.1762
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0028 0.0064
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0161 0.4421 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1818 0.4112
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.153
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0161 0.4421 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Echinococcus multilocularis caspase 2 0.0026 0.0113 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0274 0.0376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0425 0.0895
Echinococcus granulosus caspase 2 0.0026 0.0113 0.0113
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.153
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0.0497 0.1124
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0038 0.0497 0.1046
Loa Loa (eye worm) hypothetical protein 0.0049 0.0845 0.116
Schistosoma mansoni hypothetical protein 0.0031 0.0274 0.0577
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0113 0.0256
Echinococcus granulosus caspase 0.0098 0.2408 0.2408
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1818 0.2493
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0411 0.0865
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.1285 0.153
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.0113 0.0256
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.2431 0.3334
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Schistosoma mansoni hypothetical protein 0.0031 0.0274 0.0577
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0113 0.0256
Brugia malayi Pre-SET motif family protein 0.0251 0.729 1
Trypanosoma cruzi metacaspase, putative 0.0026 0.0113 0.0256
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0038 0.0497 0.1124
Plasmodium falciparum metacaspase 1 0.0026 0.0113 0.0256
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0028 0.0059
Echinococcus granulosus geminin 0.0169 0.4654 0.4654
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0747 0.0747
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1818 0.1818
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0064
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.0681
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0091 0.2185 0.46
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0038 0.0497 0.1124
Schistosoma mansoni dihydroorotate dehydrogenase 0.0161 0.4421 0.9308
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0172 0.475 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0497 0.0592
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0098 0.2408 0.2408
Plasmodium falciparum metacaspase-like protein 0.0026 0.0113 0.0256
Echinococcus granulosus caspase 3 0.0072 0.157 0.157
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Brugia malayi Pre-SET motif family protein 0.0036 0.0425 0.0583
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1818 0.4112
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0383 0.0383
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0026 0.0113 0.0155
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0583
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0028 0.0059
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0161 0.4421 1
Plasmodium vivax sentrin-specific protease 1, putative 0.0038 0.0497 0.1124
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0038 0.0497 0.1046
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0038 0.0497 0.0592
Trypanosoma cruzi metacaspase, putative 0.0026 0.0113 0.0256
Echinococcus multilocularis tumor protein p63 0.0336 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0425 0.0895
Brugia malayi hypothetical protein 0.0036 0.0411 0.0564
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0038 0.0497 0.0592
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.0681
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8398 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1818 0.2493
Onchocerca volvulus 0.0286 0.8398 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1818 0.4112
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0038 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0497 0.0681
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0113 0.0135
Plasmodium falciparum dihydroorotate dehydrogenase 0.0161 0.4421 1
Trypanosoma brucei metacaspase MCA3 0.0026 0.0113 0.0256
Echinococcus multilocularis sentrin specific protease 1 0.0038 0.0497 0.0497
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0038 0.0497 0.0681
Entamoeba histolytica hypothetical protein 0.0036 0.0411 0.0865
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0039
Loa Loa (eye worm) hypothetical protein 0.0024 0.0028 0.0039
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0028 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0411 0.0411
Leishmania major dihydroorotate dehydrogenase 0.0161 0.4421 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0113 0.0155
Giardia lamblia Sentrin specific protease, putative 0.0038 0.0497 1
Schistosoma mansoni caspase-7 (C14 family) 0.0026 0.0113 0.0238
Trypanosoma cruzi metacaspase, putative 0.0026 0.0113 0.0256
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0028 0.0064
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1818 0.1818
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0274 0.0274
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0028 0.0064
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0028 0.0039
Mycobacterium ulcerans hypothetical protein 0.0024 0.0028 0.0064
Echinococcus granulosus caspase 8 0.0026 0.0113 0.0113
Brugia malayi Cell death protein 3 precursor 0.0026 0.0113 0.0155
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0497 0.0681
Echinococcus multilocularis geminin 0.0169 0.4654 0.4654
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0274 0.0376
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0091 0.2185 0.2602
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0113 0.0135
Echinococcus granulosus expressed conserved protein 0.0133 0.3529 0.3529
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0161 0.4421 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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