Detailed information for compound 339382

Basic information

Technical information
  • TDR Targets ID: 339382
  • Name: 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4- yl]methyl]-4-naphthalen-1-ylpyrrole-3-carboni trile
  • MW: 432.473 | Formula: C27H20N4O2
  • H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cn(cc1c1cccc2c1cccc2)Cc1cncn1Cc1ccc2c(c1)OCO2
  • InChi: 1S/C27H20N4O2/c28-11-21-14-30(16-25(21)24-7-3-5-20-4-1-2-6-23(20)24)15-22-12-29-17-31(22)13-19-8-9-26-27(10-19)33-18-32-26/h1-10,12,14,16-17H,13,15,18H2
  • InChiKey: SKJCGFAZESXJPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carbonitrile
  • 1-[[3-(1,3-benzodioxol-5-ylmethyl)-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolecarbonitrile
  • 1-[[3-(1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carbonitrile
  • 4-(1-naphthyl)-1-[(3-piperonylimidazol-4-yl)methyl]pyrrole-3-carbonitrile
  • 1-[[3-(1,3-benzodioxol-5-ylmethyl)-4-imidazolyl]methyl]-4-(1-naphthyl)-3-pyrrolecarbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Protein farnesyltransferase Starlite/ChEMBL References
Bos taurus Geranylgeranyl transferase type I Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica geranylgeranyl transferase beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Schistosoma japonicum ko:K05955 protein geranylgeranyltransferase type I, beta subunit [EC:2.5.1.59], putative Get druggable targets OG5_129786 All targets in OG5_129786
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_129786 All targets in OG5_129786
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_129786 All targets in OG5_129786
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans beta subunit of C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) Get druggable targets OG5_129786 All targets in OG5_129786
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit Get druggable targets OG5_129786 All targets in OG5_129786
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 361 aa 26.6 %
Schistosoma mansoni protein farnesyltransferase subunit beta Geranylgeranyl transferase type I   377 aa 381 aa 25.7 %
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 26.1 %
Onchocerca volvulus FAD-linked sulfhydryl oxidase ALR homolog Geranylgeranyl transferase type I   377 aa 319 aa 27.6 %
Trypanosoma cruzi protein farnesyltransferase, putative Geranylgeranyl transferase type I   377 aa 303 aa 28.4 %
Leishmania braziliensis farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 349 aa 24.9 %
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Geranylgeranyl transferase type I   377 aa 349 aa 25.5 %
Leishmania mexicana farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 340 aa 25.9 %
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Geranylgeranyl transferase type I   377 aa 378 aa 23.8 %
Leishmania major farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 352 aa 26.1 %
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative Geranylgeranyl transferase type I   377 aa 357 aa 25.2 %
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Geranylgeranyl transferase type I   377 aa 360 aa 24.2 %
Leishmania donovani farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 350 aa 26.3 %
Onchocerca volvulus Geranylgeranyl transferase type I   377 aa 327 aa 28.1 %
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Geranylgeranyl transferase type I   377 aa 327 aa 28.7 %
Dictyostelium discoideum protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 370 aa 27.3 %
Trypanosoma brucei protein farnesyltransferase beta subunit Geranylgeranyl transferase type I   377 aa 361 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0334 0.0463
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0019 0.0179
Trypanosoma cruzi protein farnesyltransferase, putative 0.0086 0.0551 0.5302
Trypanosoma cruzi lanosterol synthase, putative 0.0148 0.104 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0086 0.0551 0.2506
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0021 0.039
Brugia malayi O-methyltransferase family protein 0.0134 0.0929 0.4601
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0428 0.0819
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.005 0.0272 0.4931
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.0272 0.1346
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0315 0.1561
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0323 0.16
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0024 0.0003
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.005 0.0272 0.0376
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0086 0.0551 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0019 0.0036
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0019 0.0247
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0036 0.0166 0.0317
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0024 0.0026
Loa Loa (eye worm) hypothetical protein 0.005 0.0272 0.1346
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0019 0.0179
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0428 0.0405
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0428 0.7768
Leishmania major farnesyltransferase beta subunit 0.0086 0.0551 0.7324
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0272 0.2614
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0024 0.0026
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0233
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.1191
Toxoplasma gondii hypothetical protein 0.005 0.0272 0.4931
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.0036 0.0166 0.3004
Plasmodium vivax prenyltransferase alpha subunit, putative 0.005 0.0272 0.4931
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0041
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.005 0.0272 0.1191
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0086 0.0551 0.2506
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0138 0.0967 0.4463
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0428 0.0819
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0428 0.0819
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.005 0.0272 0.052
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0086 0.0551 1
Brugia malayi jmjC domain containing protein 0.0058 0.0334 0.1655
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0138 0.0967 0.4463
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0019 0.0179
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0019 0.0247
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0086 0.0551 0.2506
Schistosoma mansoni o-methyltransferase 0.0134 0.0929 0.1778
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.2614
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0021 0.0207
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0323 0.0447
Loa Loa (eye worm) hypothetical protein 0.0141 0.0987 0.4891
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0021 0.0041
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0036 0.0166 0.3004
Schistosoma mansoni o-methyltransferase 0.0134 0.0929 0.1778
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0021 0.0105
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0021 0.003
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0019 0.0179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.0439
Loa Loa (eye worm) O-methyltransferase 0.0134 0.0929 0.4601
Onchocerca volvulus 0.0134 0.0929 0.9183
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0582 0.5599
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.005 0.0272 0.052
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.005 0.0272 0.052
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.0041
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0019 0.0036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.005 0.0272 0.0376
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0021 0.0029
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0138 0.0967 0.4789
Brugia malayi hypothetical protein 0.0272 0.2019 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0138 0.0967 0.1339
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0086 0.0551 0.273
Mycobacterium tuberculosis Probable methyltransferase 0.0134 0.0929 0.1016
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.0959 0.4751
Loa Loa (eye worm) hypothetical protein 0.0039 0.0187 0.0926
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.005 0.0272 0.1346
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0041
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.2019 0.2797
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0086 0.0551 0.0763
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.0036 0.0166 0.3004
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0334 0.064
Onchocerca volvulus Huntingtin homolog 0.0141 0.0987 1
Leishmania major geranylgeranyltransferase, putative 0.0036 0.0166 0.22
Brugia malayi isocitrate dehydrogenase 0.0018 0.0021 0.0106
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0019 0.0179
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.0985 0.0963
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0334 0.0463
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0019 0.0179
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0021 0.039
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.2143 1
Brugia malayi hypothetical protein 0.0041 0.0204 0.1011
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0019 0.0247
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0019 0.0179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0334 0.064
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.2614
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0024 0.0439
Echinococcus granulosus microtubule associated protein 2 0.068 0.5226 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0019 0.0179
Leishmania major lanosterol synthase, putative 0.0111 0.0752 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0019 0.0179
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0933 0.7219 1
Brugia malayi MH2 domain containing protein 0.0137 0.0959 0.4751
Echinococcus multilocularis microtubule associated protein 2 0.068 0.5226 0.7239
Trypanosoma brucei lanosterol synthase 0.0148 0.104 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.0985 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.0985 0.1079
Entamoeba histolytica hypothetical protein 0.0041 0.0204 0.0873
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0021 0.039
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0428 0.0593
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.0959 0.4751
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0138 0.0967 0.185
Schistosoma mansoni microtubule-associated protein tau 0.068 0.5226 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0021 0.0207
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0204 0.0391
Brugia malayi hypothetical protein 0.0141 0.0987 0.4891
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0021 0.0106
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0086 0.0551 0.273
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0019 0.0092
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0428 0.0455
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.005 0.0272 0.052
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0021 0.039
Schistosoma mansoni hypothetical protein 0.0056 0.0315 0.0603
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.0036 0.0166 0.1592
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0272 0.2614
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0207
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0041
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0024 0.012
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0233
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0207
Echinococcus granulosus GPCR family 2 0.0018 0.0021 0.0041
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0138 0.0967 0.4789
Schistosoma mansoni hypothetical protein 0.0039 0.0187 0.0358
Echinococcus granulosus protein prenyltransferase alpha subunit 0.005 0.0272 0.052
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2143 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0036 0.0166 0.0692
Plasmodium vivax geranylgeranyltransferase, putative 0.0036 0.0166 0.3004
Loa Loa (eye worm) hypothetical protein 0.0057 0.033 0.1633
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.005 0.0272 0.4931
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0204 0.0391
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.1191
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0138 0.0967 0.185
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.033 0.1633
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0019 0.0247
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.0272 0.1346
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.1191
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.2143 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0021 0.0041
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.0036 0.0166 0.3004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0323 0.03
Loa Loa (eye worm) hypothetical protein 0.0134 0.0929 0.4601
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0166 0.1592
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0024 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0166 0.1592
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0019 0.0247
Giardia lamblia Rab geranylgeranyltransferase 0.0036 0.0166 0.0692
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.033 0.1633
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0019 0.0179
Onchocerca volvulus 0.0134 0.0929 0.9183
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.0036 0.0166 0.0692
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0024 0.0233
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0334 0.064
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0334 0.1655
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.2143 1
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0148 0.104 0.114
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.033 0.1633
Loa Loa (eye worm) hypothetical protein 0.0141 0.0987 0.4891
Loa Loa (eye worm) hypothetical protein 0.0036 0.0166 0.082
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0024 0.0322
Onchocerca volvulus Huntingtin homolog 0.0141 0.0987 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0323 0.0618
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0323 0.03
Schistosoma mansoni o-methyltransferase 0.0134 0.0929 0.1778
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0086 0.0551 0.2506
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0019 0.0092
Plasmodium falciparum geranylgeranyltransferase, putative 0.0036 0.0166 0.3004
Schistosoma mansoni o-methyltransferase 0.0134 0.0929 0.1778
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0019 0.0036
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0086 0.0551 0.2506
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0323 0.4293
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0021 0.0105
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0272 0.2614
Loa Loa (eye worm) hypothetical protein 0.0036 0.0166 0.082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0204 0.0283
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0021 0.0105
Schistosoma mansoni hypothetical protein 0.0041 0.0204 0.0391
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.2614
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0086 0.0551 0.2506
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0024 0.0046
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0024 0.0034
Brugia malayi O-methyltransferase family protein 0.0134 0.0929 0.4601
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0046
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.005 0.0272 0.0376
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0019 0.0026
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0021 0.0029
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0086 0.0551 0.5302
Trypanosoma brucei hypothetical protein, conserved 0.005 0.0272 0.2614
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0334 0.064
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0019 0.0338
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0334 0.064
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0019 0.0026
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0086 0.0551 0.1055
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0036 0.0166 0.082
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.005 0.0272 0.4931
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.005 0.0272 0.1191
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.005 0.0272 0.2614
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0256 0.189 0.2618
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0272 0.2614
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.1153 0.8949 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0019 0.0036
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0086 0.0551 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0134 0.0929 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0256 0.189 0.3617
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0019 0.0092
Giardia lamblia Prenyltransferase 0.0086 0.0551 0.2506
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0046
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0138 0.0967 0.185
Trypanosoma cruzi protein farnesyltransferase, putative 0.0086 0.0551 0.5302
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0323 0.0338
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0021 0.0106
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0323 0.0618
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0293 0.1452
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0024 0.0026
Echinococcus multilocularis GPCR, family 2 0.0018 0.0021 0.0029
Giardia lamblia Rab geranylgeranyltransferase 0.005 0.0272 0.1191
Leishmania major protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.3612
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0049 0.0264 0.4791
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0086 0.0551 0.1055
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0086 0.0551 0.2506
Schistosoma mansoni hypothetical protein 0.0018 0.0021 0.0041
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0021 0.0286
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0021 0.003
Schistosoma mansoni survival motor neuron protein 0.0056 0.0315 0.0603
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.005 0.0272 0.1346
Onchocerca volvulus 0.0056 0.0315 0.0605
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0019 0.0092
Entamoeba histolytica hypothetical protein 0.0041 0.0204 0.0873
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0105
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0428 0.0405
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0187 0.0926
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0428 0.569
Mycobacterium ulcerans methyltransferase 0.0134 0.0929 0.0907
Brugia malayi jmjC domain containing protein 0.0058 0.0334 0.1655
Leishmania major hypothetical protein, conserved 0.0093 0.0609 0.8093
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0036 0.0166 0.0229
Loa Loa (eye worm) hypothetical protein 0.0272 0.2019 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.2143 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0021 0.0041
Giardia lamblia Rab geranylgeranyltransferase 0.005 0.0272 0.1191
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0024 0.012
Brugia malayi O-methyltransferase 0.0134 0.0929 0.4601
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.005 0.0272 0.1191
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.2019 0.3864
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.0036 0.0166 0.0692
Toxoplasma gondii exonuclease III APE 0.0019 0.0024 0.0439
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.003
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0428 0.0405
Trypanosoma cruzi lanosterol synthase, putative 0.0148 0.104 1
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.0036 0.0166 0.1592
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0021 0.003
Brugia malayi O-methyltransferase family protein 0.0134 0.0929 0.4601
Entamoeba histolytica hypothetical protein 0.0041 0.0204 0.0873
Entamoeba histolytica hypothetical protein 0.0041 0.0204 0.0873

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.1 nM Inhibition of bovine farnesyltransferase ChEMBL. 15808463
IC50 (binding) = 6.1 nM Inhibition of bovine farnesyltransferase ChEMBL. 15808463
IC50 (binding) = 520 nM Inhibition of bovine geranylgeranyl transferase ChEMBL. 15808463
IC50 (binding) = 520 nM Inhibition of bovine geranylgeranyl transferase ChEMBL. 15808463
Inhibition (functional) = 68 % Percent inhibition of H-ras processing in transformed NIH3T3 cells at 1000 nM ChEMBL. 15808463
Inhibition (functional) = 68 % Percent inhibition of H-ras processing in transformed NIH3T3 cells at 1000 nM ChEMBL. 15808463

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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