Detailed information for compound 1267870

Basic information

Technical information
  • TDR Targets ID: 1267870
  • Name: methyl 1-[3-[1-cyano-2-oxo-2-(2-phenylethylam ino)ethyl]quinoxalin-2-yl]piperidine-4-carbox ylate
  • MW: 457.524 | Formula: C26H27N5O3
  • H donors: 1 H acceptors: 5 LogP: 3.2 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OC)C(=O)NCCc1ccccc1
  • InChi: 1S/C26H27N5O3/c1-34-26(33)19-12-15-31(16-13-19)24-23(29-21-9-5-6-10-22(21)30-24)20(17-27)25(32)28-14-11-18-7-3-2-4-8-18/h2-10,19-20H,11-16H2,1H3,(H,28,32)
  • InChiKey: NFRMUTNZJDQGFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3-[1-cyano-2-oxo-2-(2-phenylethylamino)ethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester
  • 1-[3-[1-cyano-2-keto-2-(2-phenylethylamino)ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester
  • SMR000040812
  • STOCK2S-47599
  • MLS001073941
  • MLS000036757

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) 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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi exodeoxyribonuclease III family 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
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
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0442 0.1105
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0015 0.0238 0.0595
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0238 0.0595
Schistosoma mansoni ap endonuclease 0.0023 0.0442 0.0442
Brugia malayi RNA, U transporter 1 0.0099 0.2531 0.4852
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0153 0.3997 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.0015 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0035 0.0773 0.0773
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Echinococcus multilocularis cpg binding protein 0.0037 0.0824 0.0824
Trypanosoma brucei aldo-keto reductase, putative 0.0153 0.3997 1
Echinococcus granulosus aldo keto reductase 0.0153 0.3997 0.3997
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.3266 0.8171
Brugia malayi CXXC zinc finger family protein 0.0035 0.0769 0.1475
Onchocerca volvulus 0.0153 0.3997 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0238 0.0595
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0521 0.0521
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0773 0.1934
Leishmania major protein kinase, putative 0.0015 0.0238 0.0595
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Mycobacterium tuberculosis Conserved protein 0.0126 0.3266 0.7944
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0442 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Brugia malayi hypothetical protein 0.0197 0.5217 1
Onchocerca volvulus 0.0153 0.3997 1
Giardia lamblia Aldose reductase 0.0153 0.3997 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0593 0.0945
Echinococcus multilocularis aldo keto reductase 0.0153 0.3997 0.3997
Entamoeba histolytica aldose reductase, putative 0.0153 0.3997 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0521 0.1305
Schistosoma mansoni importin beta-1 0.0035 0.0773 0.0773
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0153 0.3997 1
Onchocerca volvulus 0.0153 0.3997 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0153 0.3997 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0153 0.3997 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Mycobacterium ulcerans hypothetical protein 0.0126 0.3266 0.7944
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0593 0.1483
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0238 0.0595
Onchocerca volvulus 0.0153 0.3997 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0442 0.0442
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0.0238 0.0595
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0773 0.1934
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0521 0.1597
Schistosoma mansoni aldo-keto reductase 0.0153 0.3997 0.3997
Plasmodium vivax importin-beta 2, putative 0.0035 0.0773 0.2367
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0521 0.1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0521 0.0225
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0442 0.1352
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0238 0.0595
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0126 0.3266 0.3266
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0593 0.1483
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.011 0.021
Echinococcus multilocularis aldo keto reductase 0.0153 0.3997 0.3997
Entamoeba histolytica hypothetical protein 0.0028 0.0593 0.1483
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.5217 0.5217
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0442 0.0442
Echinococcus granulosus cpg binding protein 0.0037 0.0824 0.0824
Echinococcus granulosus hypothetical protein 0.0153 0.3997 0.3997
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Loa Loa (eye worm) oxidoreductase 0.0153 0.3997 0.3997
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.101 0.101
Echinococcus multilocularis aldo keto reductase 0.0153 0.3997 0.3997
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0113 0.0113
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0126 0.3266 0.3266
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0015 0.0238 0.0238
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Echinococcus multilocularis voltage gated potassium channel subunit 0.0126 0.3266 0.3266
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Entamoeba histolytica alcohol dehydrogenase, putative 0.0126 0.3266 0.8171
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0.0238 0.0595
Leishmania major prostaglandin f synthase, putative 0.0153 0.3997 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0442 0.1105
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0521 0.0521
Schistosoma mansoni cpg binding protein 0.0035 0.0769 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0126 0.3266 0.8171
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Trichomonas vaginalis adenylate cyclase, putative 0.0015 0.0238 0.0595
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0126 0.3266 0.8171
Echinococcus granulosus aldo keto reductase 0.0153 0.3997 0.3997
Onchocerca volvulus 0.0043 0.101 0.2055
Schistosoma mansoni aldo-keto reductase 0.0153 0.3997 0.3997
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0126 0.3266 0.8171
Onchocerca volvulus 0.0035 0.0769 0.1414
Schistosoma mansoni potassium channel beta 0.0126 0.3266 0.3266
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Loa Loa (eye worm) oxidoreductase 0.0153 0.3997 0.3997
Echinococcus granulosus importin subunit beta 1 0.0035 0.0773 0.0773
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0015 0.0238 0.5
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0593 0.1483
Echinococcus granulosus aldehyde reductase 0.0027 0.0551 0.0551
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0113 0.0113
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0153 0.3997 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1834 0.1834
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0442 0.1352
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0442 0.1105
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.4799 0.4799
Mycobacterium ulcerans putative regulatory protein 0.0043 0.101 0.16
Schistosoma mansoni cpg binding protein 0.0037 0.0824 0.0824
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0153 0.3997 0.7662
Brugia malayi bHLH-PAS transcription factor 0.0043 0.101 0.1937
Schistosoma mansoni hypothetical protein 0.0205 0.5424 0.5424
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0056 0.0056
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0056 0.0056
Echinococcus multilocularis geminin 0.0205 0.5424 0.5424
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0238 0.0595
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0238 0.0595
Onchocerca volvulus 0.0126 0.3266 0.8056
Entamoeba histolytica alcohol dehydrogenase, putative 0.0126 0.3266 0.8171
Leishmania major protein kinase, putative 0.0015 0.0238 0.0595
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0551 0.0832
Schistosoma mansoni single-minded 0.0059 0.1428 0.1428
Leishmania major importin beta-1 subunit, putative 0.0028 0.0593 0.1483
Leishmania major GTP-binding protein, putative 0.0026 0.0521 0.1305
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0521 0.0755
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.1428 0.1428
Schistosoma mansoni ran 0.0026 0.0521 0.0521
Mycobacterium leprae Possible oxidoreductase 0.0126 0.3266 0.8056
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0153 0.3997 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0769 0.0769
Echinococcus multilocularis aldo keto reductase 0.0153 0.3997 0.3997
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0773 0.1934
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0153 0.3997 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0153 0.3997 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Brugia malayi hypoxia-induced factor 1 0.0182 0.4799 0.9199
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0126 0.3266 0.8171
Trichomonas vaginalis aldo/keto reductase, putative 0.0153 0.3997 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0113 0.0113
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0153 0.3997 0.7662
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0015 0.0238 0.0595
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0153 0.3997 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Loa Loa (eye worm) oxidoreductase 0.0153 0.3997 0.3997
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0773 0.0773
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Echinococcus granulosus aldo keto reductase 0.0153 0.3997 0.3997
Schistosoma mansoni hypothetical protein 0.0372 1 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0238 0.0595
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Trichomonas vaginalis ran, putative 0.0026 0.0521 0.1305
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0521 0.0755
Plasmodium falciparum aldehyde reductase, putative 0.0126 0.3266 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0035 0.0087
Onchocerca volvulus 0.0153 0.3997 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0442 0.0846
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0056 0.0056
Echinococcus granulosus voltage gated potassium channel subunit 0.0126 0.3266 0.3266
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0015 0.0238 0.0238
Toxoplasma gondii exonuclease III APE 0.0023 0.0442 0.1105
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0153 0.3997 0.7662
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0205 0.5424 0.5424
Echinococcus granulosus single minded 2 0.0043 0.101 0.101
Trypanosoma cruzi aldo/keto reductase, putative 0.0126 0.3266 0.8056
Toxoplasma gondii aldo-keto reductase 0.0126 0.3266 0.8171
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0126 0.3266 0.6261
Schistosoma mansoni cpg binding protein 0.0037 0.0824 0.0824
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0442 0.0542
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.3266 0.8171
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0035 0.0087
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0521 0.0521
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0015 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0153 0.3997 0.3997
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0521 0.1597
Leishmania major aldo-keto reductase-like protein 0.0153 0.3997 1
Schistosoma mansoni ran 0.0026 0.0521 0.0521
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0442 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Giardia lamblia Aldose reductase 0.0153 0.3997 1
Plasmodium vivax aldehyde reductase, putative 0.0126 0.3266 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0442 0.1105
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0442 0.1105
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0126 0.3266 0.8171
Echinococcus multilocularis aldehyde reductase 0.0027 0.0551 0.0551
Plasmodium falciparum aldo-keto reductase, putative 0.0126 0.3266 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Plasmodium falciparum importin beta, putative 0.0035 0.0773 0.2367
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Echinococcus granulosus aryl hydrocarbon receptor 0.0015 0.0238 0.0238
Brugia malayi NADH-dependent xylose reductase 0.0126 0.3266 0.6261
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0035 0.0087
Echinococcus granulosus geminin 0.0205 0.5424 0.5424
Trypanosoma brucei prostaglandin f synthase 0.0153 0.3997 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0153 0.3997 1
Toxoplasma gondii aldose reductase, putative 0.0153 0.3997 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0153 0.3997 0.3997
Entamoeba histolytica Ran family GTPase 0.0026 0.0521 0.1305
Trichomonas vaginalis helicase, putative 0.0008 0.0035 0.0087
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0521 0.1305
Onchocerca volvulus 0.0153 0.3997 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0056 0.0056
Schistosoma mansoni ap endonuclease 0.0023 0.0442 0.0442
Brugia malayi Importin beta-1 subunit 0.0035 0.0773 0.1482
Entamoeba histolytica aldose reductase, putative 0.0153 0.3997 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.3266 0.8171
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Mycobacterium tuberculosis Probable oxidoreductase 0.0153 0.3997 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Mycobacterium ulcerans oxidoreductase 0.0153 0.3997 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Entamoeba histolytica aldose reductase, putative 0.0153 0.3997 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1619 0.405
Echinococcus multilocularis snurportin 1 0.0372 1 1
Trypanosoma cruzi aldo-keto reductase 0.0153 0.3997 1
Schistosoma mansoni pol-related 0.0153 0.3997 0.3997
Brugia malayi PAS domain containing protein 0.0059 0.1428 0.2738
Loa Loa (eye worm) oxidoreductase 0.0153 0.3997 0.3997
Echinococcus multilocularis aryl hydrocarbon receptor 0.0015 0.0238 0.0238
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0126 0.3266 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0035 0.0087
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0442 0.0542
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0153 0.3997 0.3997
Loa Loa (eye worm) oxidoreductase 0.0153 0.3997 0.3997
Trypanosoma brucei aldo/keto reductase, putative 0.0126 0.3266 0.8171
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0153 0.3997 0.7662

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 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
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 14.7157 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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