Detailed information for compound 807643

Basic information

Technical information
  • TDR Targets ID: 807643
  • Name: 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]benzoyl ]amino]benzene-1,3-dicarboxylic acid
  • MW: 492.391 | Formula: C24H16N2O10
  • H donors: 6 H acceptors: 10 LogP: 1.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1cccc(c1)C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)Nc1cc(cc(c1)C(=O)O)C(=O)O
  • InChi: 1S/C24H16N2O10/c27-19(25-17-7-13(21(29)30)5-14(8-17)22(31)32)11-2-1-3-12(4-11)20(28)26-18-9-15(23(33)34)6-16(10-18)24(35)36/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
  • InChiKey: PKSVVIHEWLNKEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[[[3-[[(3,5-dicarboxyphenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid
  • 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]benzoyl]amino]isophthalic acid
  • 5-[[3-[(3,5-dicarboxyphenyl)carbamoyl]phenyl]carbonylamino]benzene-1,3-dicarboxylic acid
  • Oprea1_344244
  • Oprea1_425265
  • STK021064
  • BIM-0014711.P001
  • BAS 00332465
  • CBMicro_014436

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 geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva hypothetical protein 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
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii exonuclease III APE 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
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major alpha tubulin 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0205 0.0205
Schistosoma mansoni alpha tubulin 0.0286 1 1
Echinococcus multilocularis hypothetical protein 0.0286 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0154 0.4983 0.4983
Brugia malayi Tubulin beta chain 0.0067 0.1675 0.1675
Echinococcus multilocularis tubulin beta 1 chain 0.0154 0.4983 0.4983
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 1 1
Brugia malayi Cell division protein ftsZ 0.0067 0.1675 0.1675
Trypanosoma brucei alpha tubulin, putative 0.0087 0.2445 0.2445
Brugia malayi Tubulin alpha chain 0.0286 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0286 1 1
Brugia malayi alpha-tubulin 0.0286 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0286 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0154 0.4983 0.4983
Trypanosoma brucei beta tubulin 0.0154 0.4983 0.4983
Toxoplasma gondii beta tubulin 0.0154 0.4983 0.4983
Echinococcus multilocularis Tubulin beta 2C chain 0.0154 0.4983 0.4983
Leishmania major alpha tubulin 0.0286 1 1
Leishmania major pyruvate kinase 0.004 0.0668 0.0668
Loa Loa (eye worm) pyruvate kinase 0.004 0.0668 0.0668
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0668 0.0668
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Echinococcus multilocularis pyruvate kinase 0.004 0.0668 0.0668
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei tubulin gamma chain 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin alpha 0.0154 0.4983 0.4983
Trypanosoma cruzi zeta tubulin, putative 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0154 0.4983 0.4983
Mycobacterium leprae cell division protein FtsZ 0.0067 0.1675 1
Echinococcus multilocularis tubulin subunit TubB 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.7461 0.7461
Schistosoma mansoni pyruvate kinase 0.004 0.0668 0.0668
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin alpha chain, putative 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin subunit beta 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin alpha chain 0.0286 1 1
Echinococcus multilocularis tubulin delta chain 0.0067 0.1675 0.1675
Echinococcus granulosus tubulin subunit TubB 0.0286 1 1
Trypanosoma brucei tubulin delta chain 0.0067 0.1675 0.1675
Loa Loa (eye worm) tubulin beta chain 0.0154 0.4983 0.4983
Trypanosoma cruzi beta tubulin, putative 0.0154 0.4983 0.4983
Plasmodium falciparum tubulin gamma chain 0.0154 0.4983 0.4983
Schistosoma mansoni alpha tubulin 0.0286 1 1
Plasmodium falciparum tubulin delta chain, putative 0.0067 0.1675 0.1675
Schistosoma mansoni pyruvate kinase 0.004 0.0668 0.0668
Trichomonas vaginalis tubulin epsilon chain, putative 0.0154 0.4983 0.4983
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0154 0.4983 0.4983
Trypanosoma brucei beta tubulin 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit alpha 0.0067 0.1675 0.1675
Trypanosoma brucei alpha tubulin 0.0286 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0087 0.2445 0.2445
Trichomonas vaginalis tubulin gamma chain, putative 0.0154 0.4983 0.4983
Trypanosoma cruzi tubulin delta chain 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin alpha chain, putative 0.0154 0.4983 0.4983
Echinococcus granulosus beta tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin, putative 0.0067 0.1675 0.1675
Echinococcus multilocularis tubulin alpha chain 0.0286 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0219 0.7461 0.7461
Trichomonas vaginalis tubulin epsilon chain, putative 0.0286 1 1
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Echinococcus multilocularis Tubulin beta 2C chain 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0154 0.4983 0.4983
Leishmania major alpha tubulin 0.0286 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0286 1 1
Brugia malayi tubulin alpha chain - mouse 0.0286 1 1
Leishmania major delta tubulin, putative 0.0067 0.1675 0.1675
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0067 0.1675 0.1675
Plasmodium falciparum pyruvate kinase 0.004 0.0668 0.0668
Plasmodium vivax pyruvate kinase, putative 0.004 0.0668 0.0668
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit delta 0.0067 0.1675 0.1675
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin, putative 0.0087 0.2445 0.2445
Entamoeba histolytica tubulin alpha-1 chain 0.0286 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 1 1
Plasmodium falciparum alpha tubulin 2 0.0286 1 1
Leishmania major alpha tubulin 0.0286 1 1
Trypanosoma brucei zeta tubulin, putative 0.0067 0.1675 0.1675
Schistosoma mansoni hypothetical protein 0.0205 0.6915 0.6915
Brugia malayi Tubulin beta chain 0.0087 0.2445 0.2445
Trypanosoma brucei alpha tubulin 0.0286 1 1
Giardia lamblia Epsilon tubulin 0.0067 0.1675 0.1675
Brugia malayi Tubulin alpha-2 chain 0.0286 1 1
Leishmania major alpha tubulin 0.0286 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha 1C chain 0.0286 1 1
Trypanosoma brucei epsilon tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei alpha tubulin 0.0286 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1675 0.1675
Echinococcus multilocularis Tubulin beta 2C chain 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin, putative 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin gamma chain, putative 0.0067 0.1675 0.1675
Echinococcus multilocularis Tubulin beta 2C chain 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin beta-2A chain 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin alpha 2 0.0219 0.7461 0.7461
Chlamydia trachomatis pyruvate kinase 0.004 0.0668 0.5
Echinococcus multilocularis beta tubulin 0.0154 0.4983 0.4983
Onchocerca volvulus 0.0087 0.2445 1
Plasmodium vivax tubulin gamma chain, putative 0.0154 0.4983 0.4983
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Loa Loa (eye worm) hypothetical protein 0.0199 0.6692 0.6692
Trichomonas vaginalis tubulin epsilon chain, putative 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Echinococcus granulosus Tubulin beta 2C chain 0.0154 0.4983 0.4983
Giardia lamblia Delta tubulin 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0067 0.1675 0.1675
Schistosoma mansoni tubulin subunit beta 0.0067 0.1675 0.1675
Giardia lamblia Alpha-tubulin 0.0286 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0286 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha chain 0.0286 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0286 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0286 1 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.004 0.0668 0.0668
Echinococcus granulosus tubulin beta 4A class IVa 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin subunit beta 0.0154 0.4983 0.4983
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei epsilon tubulin 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Giardia lamblia Gamma tubulin 0.0154 0.4983 0.4983
Echinococcus granulosus beta tubulin 0.0154 0.4983 0.4983
Leishmania major alpha tubulin 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin alpha-3 chain 0.0199 0.6692 0.6692
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0205 0.0205
Echinococcus multilocularis tubulin alpha 1C chain 0.0286 1 1
Plasmodium vivax delta tubulin, putative 0.0067 0.1675 0.1675
Echinococcus granulosus Tubulin beta 2C chain 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin beta chain 0.0067 0.1675 0.1675
Echinococcus granulosus tubulin alpha 1C chain 0.0286 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0286 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0154 0.4983 0.4983
Giardia lamblia Beta tubulin 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin beta-1 chain 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin alpha chain 0.0286 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0668 0.0668
Plasmodium falciparum alpha tubulin 1 0.0286 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0286 1 1
Leishmania major alpha tubulin 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0205 0.0205
Giardia lamblia Beta tubulin 0.0154 0.4983 0.4983
Entamoeba histolytica tubulin family protein 0.0154 0.4983 0.4983
Echinococcus multilocularis beta tubulin 0.0154 0.4983 0.4983
Schistosoma mansoni hypothetical protein 0.0205 0.6915 0.6915
Toxoplasma gondii beta-tubulin, putative 0.0154 0.4983 0.4983
Leishmania major epsilon tubulin, putative 0.0154 0.4983 0.4983
Mycobacterium ulcerans pyruvate kinase 0.004 0.0668 0.3987
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Trypanosoma brucei zeta tubulin 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Brugia malayi Tubulin beta-1 chain 0.0154 0.4983 0.4983
Leishmania major alpha tubulin 0.0286 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0132 0.4153 0.4153
Treponema pallidum cell division protein FtsZ 0.0067 0.1675 1
Leishmania major alpha tubulin 0.0286 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit epsilon 0.0154 0.4983 0.4983
Plasmodium vivax tubulin epsilon chain, putative 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin beta chain, putative 0.0286 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0067 0.1675 0.1675
Echinococcus multilocularis Tubulin beta 2C chain 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin epsilon chain 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit gamma 0.0154 0.4983 0.4983
Leishmania major zeta tubulin, putative 0.0067 0.1675 0.1675
Loa Loa (eye worm) alpha-tubulin 0.0286 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0067 0.1675 1
Trichomonas vaginalis tubulin beta chain, putative 0.0087 0.2445 0.2445
Loa Loa (eye worm) alpha-tubulin 0.0286 1 1
Echinococcus granulosus pyruvate kinase 0.004 0.0668 0.0668
Loa Loa (eye worm) BEN-1 protein 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit beta 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin alpha chain 0.0286 1 1
Echinococcus granulosus alpha tubulin 0.0286 1 1
Giardia lamblia Beta tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei beta tubulin 0.0154 0.4983 0.4983
Echinococcus granulosus Tubulin beta 2C chain 0.0154 0.4983 0.4983
Brugia malayi Tubulin alpha chain 0.0067 0.1675 0.1675
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0067 0.1675 0.1675
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0668 0.0668
Entamoeba histolytica tubulin gamma chain 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha chain 0.0286 1 1
Echinococcus granulosus tubulin alpha chain 0.0286 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin alpha chain 0.0286 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0154 0.4983 0.4983
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0668 0.0668
Plasmodium falciparum tubulin beta chain 0.0154 0.4983 0.4983
Mycobacterium tuberculosis Cell division protein FtsZ 0.0067 0.1675 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0668 0.0668
Echinococcus granulosus tubulin alpha 1C chain 0.0286 1 1
Trypanosoma brucei epsilon tubulin 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin epsilon chain 0.0154 0.4983 0.4983
Trypanosoma brucei beta tubulin 0.0154 0.4983 0.4983
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0668 0.3987
Leishmania major alpha tubulin 0.0286 1 1
Leishmania major alpha tubulin 0.0286 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0286 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin alpha chain, putative 0.0087 0.2445 0.2445
Echinococcus multilocularis Tubulin alpha 1 chain 0.0286 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0668 0.0668
Giardia lamblia Alpha-tubulin 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0087 0.2445 0.2445
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0668 0.0668
Schistosoma mansoni alpha tubulin 0.0286 1 1
Loa Loa (eye worm) beta-tubulin 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha chain 0.0286 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin gamma chain, putative 0.0154 0.4983 0.4983
Leishmania major alpha tubulin 0.0286 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0154 0.4983 0.4983
Echinococcus granulosus Tubulin beta 2C chain 0.0154 0.4983 0.4983
Trypanosoma cruzi tubulin delta chain 0.0067 0.1675 0.1675
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Echinococcus granulosus geminin 0.0205 0.6915 0.6915
Echinococcus multilocularis pyruvate kinase 0.0032 0.0345 0.0345
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin, putative 0.0087 0.2445 0.2445
Trypanosoma cruzi alpha tubulin, putative 0.0286 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0286 1 1
Trypanosoma brucei alpha tubulin 0.0286 1 1
Giardia lamblia Pyruvate kinase 0.004 0.0668 0.0668
Brugia malayi beta-tubulin, identical 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit alpha 0.0286 1 1
Leishmania major gamma-tubulin 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin alpha chain, putative 0.0087 0.2445 0.2445
Echinococcus granulosus tubulin alpha 3 chain 0.0286 1 1
Echinococcus granulosus tubulin delta chain 0.0067 0.1675 0.1675
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0199 0.6692 0.6692
Echinococcus granulosus pyruvate kinase 0.004 0.0668 0.0668
Trypanosoma cruzi tubulin gamma chain 0.0154 0.4983 0.4983
Schistosoma mansoni tubulin subunit alpha 0.0286 1 1
Trypanosoma brucei beta tubulin 0.0154 0.4983 0.4983
Trypanosoma brucei pyruvate kinase 1 0.004 0.0668 0.0668
Echinococcus granulosus tubulin gamma 1 chain 0.0154 0.4983 0.4983
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0219 0.7461 0.7461
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Loa Loa (eye worm) tubulin alpha chain 0.0286 1 1
Leishmania major beta tubulin 0.0154 0.4983 0.4983
Plasmodium falciparum tubulin epsilon chain, putative 0.0154 0.4983 0.4983
Plasmodium vivax tubulin beta chain, putative 0.0154 0.4983 0.4983
Echinococcus multilocularis tubulin alpha chain 0.0286 1 1
Echinococcus multilocularis pyruvate kinase 0.004 0.0668 0.0668
Brugia malayi Tubulin gamma chain 0.0154 0.4983 0.4983
Echinococcus granulosus Tubulin alpha 1 chain 0.0286 1 1
Loa Loa (eye worm) BEN-1 protein 0.0154 0.4983 0.4983
Echinococcus granulosus tubulin alpha chain 0.0286 1 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0668 0.0668
Schistosoma mansoni tubulin subunit alpha 0.0286 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0286 1 1
Entamoeba histolytica tubulin family protein 0.0154 0.4983 0.4983
Leishmania major pyruvate kinase 0.004 0.0668 0.0668
Loa Loa (eye worm) pyruvate kinase 0.004 0.0668 0.0668
Loa Loa (eye worm) tubulin alpha 2 0.0219 0.7461 0.7461
Trypanosoma cruzi zeta tubulin, putative 0.0067 0.1675 0.1675
Echinococcus multilocularis geminin 0.0205 0.6915 0.6915
Mycobacterium ulcerans cell division protein FtsZ 0.0067 0.1675 1
Brugia malayi Tubulin alpha-2 chain 0.0286 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0731 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1683 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 18.526 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 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) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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