Detailed information for compound 15008

Basic information

Technical information
  • TDR Targets ID: 15008
  • Name: N-[3-(1,3-benzodioxole-5-carbonylamino)propyl ]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamid e
  • MW: 373.446 | Formula: C20H27N3O4
  • H donors: 3 H acceptors: 2 LogP: 1.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=CC(NC1(C)C)(C)C)NCCCNC(=O)c1ccc2c(c1)OCO2
  • InChi: 1S/C20H27N3O4/c1-19(2)11-14(20(3,4)23-19)18(25)22-9-5-8-21-17(24)13-6-7-15-16(10-13)27-12-26-15/h6-7,10-11,23H,5,8-9,12H2,1-4H3,(H,21,24)(H,22,25)
  • InChiKey: VGVABLNSZPISLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • N-[3-(1,3-benzodioxol-5-ylcarbonylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
  • 2,2,5,5-tetramethyl-N-[3-(piperonyloylamino)propyl]-3-pyrroline-3-carboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei epsilon tubulin 0.0268 0.547 0.547
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Leishmania major beta tubulin 0.0475 1 1
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0116 0.2146 0.2146
Trichomonas vaginalis tubulin epsilon chain, putative 0.0373 0.7771 0.7771
Loa Loa (eye worm) tubulin alpha chain 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0006 0.003
Trypanosoma brucei tubulin gamma chain 0.0268 0.547 0.547
Leishmania major beta tubulin 0.0475 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0373 0.7771 0.7771
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0006
Brugia malayi Tubulin alpha chain 0.0116 0.2146 0.2146
Echinococcus granulosus alpha tubulin 0.0373 0.7771 0.7771
Toxoplasma gondii beta-tubulin, putative 0.0475 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0006 0.003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0272 0.0272
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Leishmania major delta tubulin, putative 0.0116 0.2146 0.2146
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0138
Echinococcus multilocularis Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0272 0.0272
Echinococcus multilocularis tubulin gamma 1 chain 0.0268 0.547 0.547
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0272 0.0272
Leishmania major beta tubulin 0.0475 1 1
Echinococcus multilocularis tubulin epsilon chain 0.0268 0.547 0.547
Echinococcus granulosus dna polymerase eta 0.0044 0.055 0.055
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Echinococcus multilocularis tubulin subunit beta 0.0475 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0272 0.0272
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0373 0.7771 0.7771
Echinococcus granulosus Tubulin beta 2C chain 0.0475 1 1
Entamoeba histolytica tubulin alpha-1 chain 0.0373 0.7771 0.7771
Brugia malayi Tubulin alpha-2 chain 0.0373 0.7771 0.7771
Plasmodium vivax tubulin alpha chain, putative 0.0373 0.7771 0.7771
Schistosoma mansoni hypothetical protein 0.0332 0.6864 0.6864
Loa Loa (eye worm) tubulin alpha 2 0.0105 0.1895 0.1895
Echinococcus multilocularis Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0006 0.003
Echinococcus granulosus tubulin delta chain 0.0116 0.2146 0.2146
Echinococcus multilocularis Tubulin beta 2C chain 0.0475 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0272 0.0272
Echinococcus multilocularis tubulin beta 1 chain 0.0475 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0373 0.7771 0.7771
Echinococcus multilocularis Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0669 0.0669
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0329 0.0329
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.2146 0.2146
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.055 0.055
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Brugia malayi alpha-tubulin 0.0373 0.7771 0.7771
Plasmodium falciparum tubulin gamma chain 0.0268 0.547 0.547
Trypanosoma brucei beta tubulin 0.0475 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0138
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Trypanosoma brucei alpha tubulin 0.0373 0.7771 0.7771
Echinococcus granulosus peroxisome assembly protein 26 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin gamma chain, putative 0.0475 1 1
Echinococcus multilocularis tubulin alpha chain 0.0373 0.7771 0.7771
Plasmodium falciparum alpha tubulin 1 0.0373 0.7771 0.7771
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0475 1 1
Leishmania major gamma-tubulin 0.0268 0.547 0.547
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Echinococcus multilocularis tubulin alpha 0.0268 0.547 0.547
Entamoeba histolytica tubulin gamma chain 0.0268 0.547 0.547
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Giardia lamblia Alpha-tubulin 0.0373 0.7771 0.7771
Giardia lamblia Alpha-tubulin 0.0373 0.7771 0.7771
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0272 0.0272
Echinococcus multilocularis Tubulin beta 2C chain 0.0475 1 1
Echinococcus granulosus beta tubulin 0.0475 1 1
Schistosoma mansoni alpha tubulin 0.0373 0.7771 0.7771
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0006 0.0006
Leishmania major beta tubulin 0.0475 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0373 0.7771 0.7771
Giardia lamblia Beta tubulin 0.0475 1 1
Treponema pallidum cell division protein FtsZ 0.0116 0.2146 1
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.2146 0.2146
Plasmodium vivax tubulin gamma chain, putative 0.0268 0.547 0.547
Trichomonas vaginalis tubulin, putative 0.0116 0.2146 0.2146
Trypanosoma brucei alpha tubulin 0.0373 0.7771 0.7771
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0116 0.2146 0.2146
Echinococcus multilocularis Tubulin beta 2C chain 0.0475 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0373 0.7771 0.7771
Mycobacterium ulcerans cell division protein FtsZ 0.0116 0.2146 1
Trypanosoma cruzi tubulin gamma chain 0.0268 0.547 0.547
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0272 0.0272
Brugia malayi Tubulin beta chain 0.0116 0.2146 0.2146
Trichomonas vaginalis tubulin epsilon chain, putative 0.0116 0.2146 0.2146
Echinococcus granulosus Tubulin beta 2C chain 0.0475 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0152 0.2919 0.2919
Leishmania major beta tubulin 0.0475 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0669 0.0669
Leishmania major beta tubulin 0.0475 1 1
Trypanosoma brucei zeta tubulin 0.0116 0.2146 0.2146
Onchocerca volvulus 0.0152 0.2919 0.5
Trypanosoma brucei tubulin delta chain 0.0116 0.2146 0.2146
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Echinococcus granulosus Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Echinococcus granulosus tubulin alpha 1C chain 0.0373 0.7771 0.7771
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0116 0.2146 1
Trypanosoma brucei zeta tubulin, putative 0.0116 0.2146 0.2146
Leishmania major beta tubulin 0.0475 1 1
Schistosoma mansoni tubulin subunit alpha 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin alpha chain, putative 0.0152 0.2919 0.2919
Echinococcus granulosus tubulin alpha 3 chain 0.0373 0.7771 0.7771
Entamoeba histolytica hypothetical protein 0.0035 0.0362 0.0362
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0362 0.0362
Trypanosoma cruzi epsilon tubulin, putative 0.0268 0.547 0.547
Leishmania major beta tubulin 0.0475 1 1
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0362 0.0362
Loa Loa (eye worm) alpha-tubulin 0.0373 0.7771 0.7771
Leishmania major DNA polymerase eta, putative 0.0044 0.055 0.055
Leishmania major beta tubulin 0.0475 1 1
Leishmania major beta tubulin 0.0475 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0006 0.0006
Trichomonas vaginalis tubulin beta chain, putative 0.0152 0.2919 0.2919
Brugia malayi isocitrate dehydrogenase 0.0031 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0221 0.4446 0.4446
Giardia lamblia Beta tubulin 0.0475 1 1
Echinococcus granulosus tubulin subunit TubB 0.0373 0.7771 0.7771
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Trypanosoma cruzi tubulin delta chain 0.0116 0.2146 0.2146
Echinococcus multilocularis beta tubulin 0.0475 1 1
Giardia lamblia Epsilon tubulin 0.0116 0.2146 0.2146
Echinococcus granulosus tubulin beta 4A class IVa 0.0475 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0373 0.7771 0.7771
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Schistosoma mansoni tubulin subunit alpha 0.0116 0.2146 0.2146
Giardia lamblia Gamma tubulin 0.0268 0.547 0.547
Echinococcus granulosus beta tubulin 0.0475 1 1
Trypanosoma brucei beta tubulin 0.0475 1 1
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin epsilon chain, putative 0.0373 0.7771 0.7771
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0006 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Echinococcus granulosus Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Brugia malayi MH2 domain containing protein 0.0234 0.4716 0.4716
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0006 0.0006
Echinococcus granulosus tubulin beta 1 chain 0.0475 1 1
Plasmodium falciparum alpha tubulin 2 0.0373 0.7771 0.7771
Trypanosoma brucei alpha tubulin 0.0373 0.7771 0.7771
Echinococcus granulosus tubulin alpha chain 0.0373 0.7771 0.7771
Echinococcus granulosus Tubulin beta 2C chain 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.055 0.055
Echinococcus granulosus tubulin alpha 3 chain 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin, putative 0.0475 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0116 0.2146 0.2146
Loa Loa (eye worm) transcription factor SMAD2 0.0234 0.4716 0.4716
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0006 0.0006
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0272 0.0272
Entamoeba histolytica tubulin family protein 0.0475 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0373 0.7771 0.7771
Leishmania major beta tubulin 0.0475 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0373 0.7771 0.7771
Echinococcus granulosus tubulin alpha chain 0.0373 0.7771 0.7771
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0006 0.003
Echinococcus granulosus tubulin alpha chain 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Loa Loa (eye worm) MH2 domain-containing protein 0.0234 0.4716 0.4716
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.0138
Trypanosoma brucei epsilon tubulin 0.0268 0.547 0.547
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0362 0.0362
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Loa Loa (eye worm) tubulin beta-2A chain 0.0475 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0116 0.2146 1
Echinococcus granulosus Tubulin beta 2C chain 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0329 0.0329
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0138 0.0138
Echinococcus multilocularis tubulin subunit TubB 0.0373 0.7771 0.7771
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.0138
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0006
Entamoeba histolytica tubulin family protein 0.0475 1 1
Echinococcus multilocularis geminin 0.0332 0.6864 0.6864
Schistosoma mansoni hypothetical protein 0.0034 0.0329 0.0329
Trypanosoma cruzi tubulin delta chain 0.0116 0.2146 0.2146
Echinococcus granulosus Tubulin alpha 1 chain 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin beta chain, putative 0.0475 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0475 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0475 1 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0006 0.0006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0266 0.0266
Giardia lamblia DINP protein human, muc B family 0.0019 0.0006 0.0006
Echinococcus multilocularis peroxisome assembly protein 26 0.0373 0.7771 0.7771
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Brugia malayi Tubulin beta chain 0.0152 0.2919 0.2919
Trypanosoma cruzi beta tubulin, putative 0.0475 1 1
Brugia malayi hypothetical protein 0.0025 0.0138 0.0138
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0475 1 1
Trypanosoma brucei epsilon tubulin 0.0268 0.547 0.547
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0272 0.0272
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0272 0.0272
Leishmania major beta tubulin 0.0475 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0006 0.0006
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Giardia lamblia Beta tubulin 0.0475 1 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0006 0.0006
Trichomonas vaginalis tubulin gamma chain, putative 0.0268 0.547 0.547
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0138 0.0138
Plasmodium vivax tubulin epsilon chain, putative 0.0268 0.547 0.547
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0006 0.0006
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0257 0.522 0.522
Trypanosoma brucei beta tubulin 0.0475 1 1
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Loa Loa (eye worm) beta-tubulin 0.0475 1 1
Leishmania major beta tubulin 0.0475 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0268 0.547 0.547
Trypanosoma cruzi zeta tubulin, putative 0.0116 0.2146 0.2146
Echinococcus multilocularis tubulin alpha chain 0.0373 0.7771 0.7771
Echinococcus multilocularis tubulin alpha chain 0.0373 0.7771 0.7771
Brugia malayi hypothetical protein 0.0035 0.0362 0.0362
Entamoeba histolytica tubulin alpha chain, putative 0.0373 0.7771 0.7771
Brugia malayi tubulin alpha-2 chain 0.0373 0.7771 0.7771
Brugia malayi tubulin alpha chain - mouse 0.0373 0.7771 0.7771
Leishmania major epsilon tubulin, putative 0.0268 0.547 0.547
Schistosoma mansoni tubulin subunit alpha 0.0373 0.7771 0.7771
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0272 0.0272
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.055 0.055
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0266 0.0266
Schistosoma mansoni tubulin subunit delta 0.0116 0.2146 0.2146
Trichomonas vaginalis tubulin beta chain, putative 0.0373 0.7771 0.7771
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Leishmania major beta tubulin 0.0475 1 1
Giardia lamblia Delta tubulin 0.0116 0.2146 0.2146
Trichomonas vaginalis tubulin alpha chain, putative 0.0152 0.2919 0.2919
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0332 0.6864 0.6864
Mycobacterium leprae cell division protein FtsZ 0.0116 0.2146 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0006 0.0006
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Trypanosoma cruzi epsilon tubulin, putative 0.0268 0.547 0.547
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0221 0.4446 0.4446
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0272 0.0272
Leishmania major beta tubulin 0.0475 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.055 0.055
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Echinococcus granulosus geminin 0.0332 0.6864 0.6864
Leishmania major beta tubulin 0.0475 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0362 0.0362
Schistosoma mansoni alpha tubulin 0.0373 0.7771 0.7771
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Echinococcus multilocularis tubulin alpha 1C chain 0.0373 0.7771 0.7771
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0272 0.0272
Trichomonas vaginalis tubulin gamma chain, putative 0.0116 0.2146 0.2146
Echinococcus granulosus tubulin subunit beta 0.0475 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Echinococcus granulosus tubulin alpha chain 0.0373 0.7771 0.7771
Trichomonas vaginalis tubulin epsilon chain, putative 0.0475 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0373 0.7771 0.7771
Leishmania major DNA polymerase kappa, putative 0.0019 0.0006 0.0006
Trichomonas vaginalis tubulin, putative 0.0152 0.2919 0.2919
Brugia malayi beta-tubulin, identical 0.0475 1 1
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Echinococcus granulosus tubulin epsilon chain 0.0268 0.547 0.547
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0268 0.547 0.547
Trypanosoma brucei alpha tubulin, putative 0.0152 0.2919 0.2919
Brugia malayi Tubulin alpha chain 0.0373 0.7771 0.7771
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0272 0.0272
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0006 0.0006
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0272 0.1269
Loa Loa (eye worm) hypothetical protein 0.0049 0.0669 0.0669
Loa Loa (eye worm) tubulin alpha 2 0.0257 0.522 0.522
Leishmania major alpha tubulin 0.0373 0.7771 0.7771
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0272 0.0272
Trypanosoma brucei unspecified product 0.0019 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0669 0.0669
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0272 0.0272
Echinococcus multilocularis Tubulin beta 2C chain 0.0475 1 1
Leishmania major zeta tubulin, putative 0.0116 0.2146 0.2146
Loa Loa (eye worm) tubulin beta chain 0.0116 0.2146 0.2146
Trypanosoma brucei beta tubulin 0.0268 0.547 0.547
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0006 0.0006
Schistosoma mansoni alpha tubulin 0.0373 0.7771 0.7771
Echinococcus multilocularis hypothetical protein 0.0373 0.7771 0.7771
Echinococcus multilocularis tubulin alpha chain 0.0373 0.7771 0.7771
Loa Loa (eye worm) BEN-1 protein 0.0475 1 1
Loa Loa (eye worm) alpha-tubulin 0.0373 0.7771 0.7771
Schistosoma mansoni tubulin subunit alpha 0.0373 0.7771 0.7771
Echinococcus multilocularis beta tubulin 0.0475 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0362 0.0362
Loa Loa (eye worm) hypothetical protein 0.0025 0.0138 0.0138
Loa Loa (eye worm) tubulin gamma chain 0.0268 0.547 0.547
Echinococcus granulosus tubulin gamma 1 chain 0.0268 0.547 0.547
Plasmodium vivax delta tubulin, putative 0.0116 0.2146 0.2146
Trypanosoma brucei beta tubulin 0.0475 1 1
Plasmodium falciparum tubulin delta chain, putative 0.0116 0.2146 0.2146
Trypanosoma brucei alpha tubulin 0.0373 0.7771 0.7771
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0257 0.522 0.522
Echinococcus multilocularis tubulin alpha 3 chain 0.0373 0.7771 0.7771
Toxoplasma gondii alpha tubulin TUBA1 0.0373 0.7771 0.7771
Echinococcus granulosus Tubulin beta 2C chain 0.0475 1 1
Echinococcus granulosus tubulin alpha 0.0268 0.547 0.547
Schistosoma mansoni tubulin subunit epsilon 0.0268 0.547 0.547
Echinococcus multilocularis tubulin delta chain 0.0116 0.2146 0.2146
Loa Loa (eye worm) BEN-1 protein 0.0475 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0362 0.0362
Entamoeba histolytica hypothetical protein 0.0035 0.0362 0.0362
Leishmania major DNA polymerase eta, putative 0.0031 0.0266 0.0266
Brugia malayi Tubulin alpha-2 chain 0.0373 0.7771 0.7771
Plasmodium vivax tubulin beta chain, putative 0.0475 1 1
Brugia malayi Cell division protein ftsZ 0.0116 0.2146 0.2146
Loa Loa (eye worm) tubulin alpha-2 chain 0.0373 0.7771 0.7771
Loa Loa (eye worm) tubulin beta chain 0.0475 1 1
Schistosoma mansoni tubulin subunit gamma 0.0268 0.547 0.547
Loa Loa (eye worm) hypothetical protein 0.0257 0.522 0.522
Echinococcus multilocularis tubulin alpha chain 0.0373 0.7771 0.7771
Schistosoma mansoni DNA polymerase eta 0.0044 0.055 0.055
Trichomonas vaginalis tubulin, putative 0.0152 0.2919 0.2919
Plasmodium falciparum tubulin epsilon chain, putative 0.0268 0.547 0.547
Echinococcus multilocularis Tubulin beta 2C chain 0.0475 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0257 0.522 0.522
Leishmania major beta tubulin 0.0475 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0152 0.2919 0.2919
Schistosoma mansoni tubulin subunit beta 0.0116 0.2146 0.2146
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0272 0.0272
Plasmodium falciparum tubulin beta chain 0.0475 1 1
Echinococcus granulosus tubulin alpha chain 0.0373 0.7771 0.7771
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0272 0.0272
Loa Loa (eye worm) tubulin alpha-3 chain 0.0221 0.4446 0.4446
Trichomonas vaginalis tubulin gamma chain, putative 0.0268 0.547 0.547
Toxoplasma gondii beta tubulin 0.0475 1 1
Trypanosoma cruzi zeta tubulin, putative 0.0116 0.2146 0.2146
Leishmania major hypothetical protein, conserved 0.0025 0.0138 0.0138
Loa Loa (eye worm) tubulin beta-4 chain 0.0475 1 1
Schistosoma mansoni tubulin subunit beta 0.0475 1 1
Brugia malayi Tubulin gamma chain 0.0268 0.547 0.547
Leishmania major beta tubulin 0.0475 1 1
Echinococcus multilocularis dna polymerase eta 0.0044 0.055 0.055
Toxoplasma gondii beta-1 tubulin, putative 0.0475 1 1

Activities

Activity type Activity value Assay description Source Reference
LD50 (ADMET) = 76 mg kg-1 Acute toxicity determined after intravenal administration in mice ChEMBL. 3806567
LD50 (ADMET) = 76 mg kg-1 Acute toxicity determined after intravenal administration in mice ChEMBL. 3806567
No. of positive cases (functional) = 4 Incidence of arrhythmias in rats after a intravenal administration at 4mg/kg, expressed as no. of positive cases out of no. of tested cases (10) ChEMBL. 3806567

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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