Detailed information for compound 905534

Basic information

Technical information
  • TDR Targets ID: 905534
  • Name: N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl] methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8- a]azepin-4-yl)piperidine-3-carboxamide
  • MW: 515.693 | Formula: C30H41N7O
  • H donors: 1 H acceptors: 4 LogP: 4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C1CCCN(C1)c1ncnc2c1nc1n2CCCCC1)NCC1CCN(CC1)Cc1ccccc1C
  • InChi: 1S/C30H41N7O/c1-22-8-4-5-9-24(22)19-35-16-12-23(13-17-35)18-31-30(38)25-10-7-14-36(20-25)28-27-29(33-21-32-28)37-15-6-2-3-11-26(37)34-27/h4-5,8-9,21,23,25H,2-3,6-7,10-20H2,1H3,(H,31,38)
  • InChiKey: WMQCQMWWTVSKFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[1-[(2-methylphenyl)methyl]-4-piperidyl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
  • N-[[1-[(2-methylphenyl)methyl]-4-piperidinyl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-3-piperidinecarboxamide
  • N-[[1-(2-methylbenzyl)-4-piperidyl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 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
Trypanosoma congolense importin beta-1 subunit, putative 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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative 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
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic 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
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
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
Babesia bovis importin beta subunit, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 importin beta, putative 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative 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
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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana GTP-binding protein, putative 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
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta, 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
Candida albicans karyopherin-beta 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
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis 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
Schistosoma mansoni ran 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
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, 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
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Theileria parva hypothetical protein 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni mixed-lineage leukemia protein mll 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.1923 0.1915
Schistosoma mansoni importin beta-1 0.0035 0.0833 0.0824
Trichomonas vaginalis set domain proteins, putative 0.0287 0.7689 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0503 0.5995
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0523 0.0762
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0583 0.8897
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0503 0.7664
Entamoeba histolytica Ran family GTPase 0.0026 0.0583 0.8897
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.083 0.0821
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0503 1
Schistosoma mansoni cpg binding protein 0.0035 0.0829 0.082
Trichomonas vaginalis ran, putative 0.0026 0.0583 0.0758
Echinococcus granulosus transportin 1 0.0007 0.0064 0.0054
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0149 0.1683
Entamoeba histolytica HEAT repeat domain containing protein 0.0007 0.0064 0.0846
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0503 0.7664
Loa Loa (eye worm) hypothetical protein 0.0118 0.3096 0.3089
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0304
Trichomonas vaginalis helicase, putative 0.0008 0.0099 0.0129
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0156 0.0146
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0887 0.0878
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.001 0.0013
Onchocerca volvulus 0.0035 0.0829 0.1066
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0313 0.0304
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0654 0.085
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0503 0.0494
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129
Brugia malayi kap beta 3 protein 0.0007 0.0064 0.0081
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0313 0.0451
Schistosoma mansoni ap endonuclease 0.0023 0.0503 0.0494
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0149 0.0206
Schistosoma mansoni DNA helicase recq1 0.001 0.0149 0.0139
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0583 0.6959
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0523 0.0514
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0149 0.2419
Loa Loa (eye worm) RecQ helicase 0.0023 0.0523 0.0514
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0523 0.068
Entamoeba histolytica recQ family helicase, putative 0.0005 0.0014 0.0067
Brugia malayi CXXC zinc finger family protein 0.0035 0.0829 0.1216
Loa Loa (eye worm) hypothetical protein 0.0034 0.081 0.0801
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0064 0.032
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0226 0.3356
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0887 0.516
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0149 0.0206
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0583 0.337
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0503 0.7664
Echinococcus multilocularis cpg binding protein 0.0037 0.0883 0.0874
Schistosoma mansoni hypothetical protein 0.0034 0.081 0.0801
Schistosoma mansoni hypothetical protein 0.0372 1 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0005 0.001 0.0013
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0829 0.082
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.001 0.0013
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0503 0.8614
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0156 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0833 0.4842
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1238 0.1824
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.6745 0.6741
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1388 0.2047
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0019 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0503 0.0654
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0583 0.6959
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0833 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0149 0.0139
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0583 0.0573
Loa Loa (eye worm) importin-beta domain-containing protein 0.0007 0.0064 0.0054
Trichomonas vaginalis Phospholipase C precursor, putative 0.0005 0.001 0.0013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0156 0.0146
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0503 0.5
Trichomonas vaginalis hypothetical protein 0.0007 0.0064 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1388 0.138
Loa Loa (eye worm) hypothetical protein 0.001 0.0149 0.0139
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0149 0.0815
Brugia malayi Importin beta-1 subunit 0.0035 0.0833 0.1222
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0313 0.0304
Loa Loa (eye worm) hypothetical protein 0.0035 0.0833 0.0824
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.001 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Brugia malayi Pre-SET motif family protein 0.0037 0.0887 0.1302
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1238 0.123
Loa Loa (eye worm) hypothetical protein 0.0037 0.0887 0.0878
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0654 1
Schistosoma mansoni ran 0.0026 0.0583 0.0573
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.00000000010855 0.00000000014117
Echinococcus granulosus translational activator gcn1 0.0007 0.0064 0.0054
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0583 0.0573
Brugia malayi RNA, U transporter 1 0.0099 0.258 0.3816
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1238 0.1824
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0304
Toxoplasma gondii exonuclease III APE 0.0023 0.0503 0.2903
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0503 0.0494
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0019 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1388 0.138
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0156 0.0146
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129
Echinococcus multilocularis GPCR, family 2 0.0016 0.0313 0.0304
Plasmodium vivax SET domain protein, putative 0.0037 0.0887 1
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0007 0.0064 0.0662
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0583 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0503 0.7664
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0503 0.5995
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0064 0.032
Echinococcus granulosus importin 5 0.0007 0.0064 0.0054
Onchocerca volvulus 0.0037 0.0887 0.1142
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0149 0.0139
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.021 0.0296
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0213 0.0203
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0005 0.0019 0.0146
Entamoeba histolytica hypothetical protein 0.0028 0.0654 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0654 0.085
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0583 0.8897
Loa Loa (eye worm) hypothetical protein 0.0016 0.0313 0.0304
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0005 0.001 0.0013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0313 0.0304
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0156 0.0146
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0317 0.3495
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0446 0.5294
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0213 0.0203
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0887 0.0878
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0007 0.0064 0.0662
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0887 0.0878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1388 0.138
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.0005 0.0014 0.0049
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0304
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0313 0.0451
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1388 0.138
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0887 0.0878
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0503 0.0494
Echinococcus granulosus importin subunit beta 1 0.0035 0.0833 0.0824
Echinococcus multilocularis importin 5 0.0007 0.0064 0.0054
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0304
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0213 0.0203
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0149 0.0815
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0313 0.0304
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0149 0.0139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1388 0.138
Loa Loa (eye worm) kap beta 3 protein 0.0007 0.0064 0.0054
Echinococcus granulosus bloom syndrome protein 0.0023 0.0523 0.0514
Brugia malayi Pre-SET motif family protein 0.0252 0.6745 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0583 0.085
Schistosoma mansoni DNA helicase recq5 0.001 0.0149 0.0139
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0005 0.001 0.0013
Plasmodium falciparum importin beta, putative 0.0035 0.0833 1
Treponema pallidum ATP-dependent DNA helicase 0.0005 0.0019 0.0191
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0833 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1238 0.123
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0005 0.0019 0.0055
Schistosoma mansoni cpg binding protein 0.0037 0.0883 0.0874
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Schistosoma mansoni ap endonuclease 0.0023 0.0503 0.0494
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0005 0.001 0.0013
Leishmania major GTP-binding protein, putative 0.0026 0.0583 0.8897
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0887 0.0878
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1709 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0149 0.0139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0057 0.0047
Leishmania major hypothetical protein, conserved 0.0007 0.0064 0.0846
Schistosoma mansoni cpg binding protein 0.0037 0.0883 0.0874
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0503 0.0732
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0313 0.0304
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0503 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Leishmania major importin beta-1 subunit, putative 0.0028 0.0654 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0226 0.2625
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0503 0.0654
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0654 0.085
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0523 0.068
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0887 0.0878
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0226 0.0294
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0226 0.3356
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0311 0.1774
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0149 0.0139
Echinococcus granulosus cpg binding protein 0.0037 0.0883 0.0874
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1388 0.138
Onchocerca volvulus 0.0287 0.7689 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1388 0.138
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0833 0.0824
Echinococcus granulosus GPCR family 2 0.0016 0.0313 0.0304
Entamoeba histolytica recQ family DNA helicase 0.0005 0.0019 0.0146
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0887 0.0878
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0099 0.0129
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0389 0.0379
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0005 0.001 0.0013
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0583 0.0573
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0503 0.5625
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0503 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.081 0.1188
Echinococcus multilocularis transportin 1 0.0007 0.0064 0.0054
Schistosoma mansoni ran 0.0026 0.0583 0.0573
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.0129
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0583 0.6531
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0226 0.3356
Echinococcus multilocularis snurportin 1 0.0372 1 1
Plasmodium vivax transportin, putative 0.0007 0.0064 0.0621
Schistosoma mansoni importin-beta 2 0.0007 0.0064 0.0054
Plasmodium vivax importin-beta 2, putative 0.0035 0.0833 0.9384
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0099 0.0129
Plasmodium falciparum transportin 0.0007 0.0064 0.0662
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1388 0.138
Echinococcus multilocularis translational activator gcn1 0.0007 0.0064 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.0129

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 0.1122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 0.5973 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 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) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 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) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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