Detailed information for compound 213380

Basic information

Technical information
  • TDR Targets ID: 213380
  • Name: (2S)-2-[[4-[[benzoyl(pyridin-3-yl)amino]methy l]-2-(2-methylphenyl)benzoyl]amino]-4-methyls ulfanylbutanoic acid
  • MW: 553.671 | Formula: C32H31N3O4S
  • H donors: 2 H acceptors: 5 LogP: 5.27 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1c1ccccc1C)CN(C(=O)c1ccccc1)c1cccnc1
  • InChi: 1S/C32H31N3O4S/c1-22-9-6-7-13-26(22)28-19-23(14-15-27(28)30(36)34-29(32(38)39)16-18-40-2)21-35(25-12-8-17-33-20-25)31(37)24-10-4-3-5-11-24/h3-15,17,19-20,29H,16,18,21H2,1-2H3,(H,34,36)(H,38,39)/t29-/m0/s1
  • InChiKey: XOYOSNAWCJGFIQ-LJAQVGFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[4-[[benzoyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid
  • (2S)-2-[[[4-[[benzoyl(3-pyridyl)amino]methyl]-2-(o-tolyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid
  • (2S)-2-[[2-(2-methylphenyl)-4-[[phenylcarbonyl(pyridin-3-yl)amino]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid
  • (2S)-2-[[4-[[benzoyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid
  • (2S)-2-[[4-[(benzoyl-pyridin-3-ylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
  • (2S)-2-[[4-[(benzoyl-(3-pyridyl)amino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid
  • (2S)-2-[[[2-(2-methylphenyl)-4-[[(oxo-phenylmethyl)-(3-pyridyl)amino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid
  • (2S)-2-[[4-[(benzoyl-(3-pyridyl)amino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-(methylthio)butyric acid
  • (2S)-2-[[2-(2-methylphenyl)-4-[(phenylcarbonyl-pyridin-3-yl-amino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Protein farnesyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum protein farnesyltranstransferase 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
Giardia lamblia Prenyltransferase 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
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma brucei gambiense protein farnesyltransferase 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
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 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
Plasmodium vivax conserved Plasmodium protein, unknown function 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
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 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
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus multilocularis protein farnesyltransferase subunit beta 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
Plasmodium berghei protein farnesyltransferase subunit beta, 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
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative 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
Leishmania major 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
Echinococcus granulosus protein farnesyltransferase subunit beta 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
Plasmodium vivax farnesyltransferase beta subunit, putative 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
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 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
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], 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
Trichomonas vaginalis geranylgeranyl transferase type II 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
Leishmania infantum farnesyltransferase beta subunit 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
Leishmania donovani 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
Cryptosporidium hominis chain B, structure of fpt bound to ggpp 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
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
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.1082 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0027 0.0251 0.1727
Loa Loa (eye worm) peptidase family M1 containing protein 0.0027 0.0251 0.0226
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0067 0.1082 0.8824
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0025 0.0216 0.0216
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.0018 0.0078 0.0078
Onchocerca volvulus 0.0027 0.0251 1
Leishmania major farnesyltransferase beta subunit 0.0067 0.1082 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.273 0.2712
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0049 0.0708 0.6277
Leishmania major hypothetical protein, conserved 0.0025 0.021 0.1318
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0426 0.0426
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.1082 1
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0216 0.1215
Trypanosoma brucei aminopeptidase, putative 0.0027 0.0251 0.1524
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0067 0.1082 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0027 0.0251 0.1524
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0067 0.1082 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0027 0.0251 0.0251
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0018 0.0078 0.0053
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0018 0.0078 0.0053
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0025 0.0216 0.0216
Entamoeba histolytica aminopeptidase, putative 0.0027 0.0251 0.1727
Loa Loa (eye worm) hypothetical protein 0.0045 0.0626 0.0602
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0824 0.0824
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0216 0.1215
Giardia lamblia Rab geranylgeranyltransferase 0.0025 0.0216 0.1377
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0027 0.0251 0.1524
Brugia malayi Protein kinase c protein 2 0.0046 0.0655 0.1427
Brugia malayi Peptidase family M1 containing protein 0.0027 0.0251 0.0512
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.021 0.1163
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0027 0.0251 0.1524
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0027 0.0251 0.1524
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0025 0.0216 0.1377
Mycobacterium ulcerans aminopeptidase N PepN 0.0027 0.0251 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.021 0.1318
Schistosoma mansoni biogenic amine (5HT) receptor 0.0148 0.273 0.273
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.021 0.1318
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0074 0.1215 0.5
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Entamoeba histolytica hypothetical protein 0.0035 0.0426 0.3472
Schistosoma mansoni aminopeptidase A (M01 family) 0.0027 0.0251 0.0251
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0025 0.0216 0.1215
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0067 0.1082 0.2394
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0027 0.0251 0.1524
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Brugia malayi hypothetical protein 0.0027 0.0251 0.0512
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0018 0.0078 0.0078
Entamoeba histolytica hypothetical protein 0.0035 0.0426 0.3472
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0025 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.0039 0.0503 0.0479
Echinococcus multilocularis aminopeptidase N 0.0027 0.0251 0.0251
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.021 0.1163
Echinococcus granulosus protein kinase C gamma type 0.0049 0.0702 0.0702
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0027 0.0251 0.1727
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Giardia lamblia Prenyltransferase 0.0067 0.1082 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0025 0.0216 0.0216
Trypanosoma brucei Aminopeptidase M1, putative 0.0027 0.0251 0.1524
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0027 0.0251 0.1727
Echinococcus granulosus RNA directed DNA polymerase 0.0039 0.0503 0.0503
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.004 0.0532 0.0508
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Onchocerca volvulus 0.0027 0.0251 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0025 0.0216 0.1377
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.1215 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0055 0.0824 0.0824
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0025 0.0216 0.0216
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Trypanosoma cruzi Aminopeptidase M1, putative 0.0027 0.0251 0.1524
Loa Loa (eye worm) hypothetical protein 0.0027 0.0251 0.0226
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0426 0.0426
Toxoplasma gondii hypothetical protein 0.0025 0.0216 0.1377
Onchocerca volvulus 0.0027 0.0251 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0055 0.0824 0.0824
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0025 0.0216 0.0191
Trypanosoma cruzi protein farnesyltransferase, putative 0.0067 0.1082 0.8824
Loa Loa (eye worm) hypothetical protein 0.0018 0.0078 0.0053
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0067 0.1082 0.1082
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Giardia lamblia Rab geranylgeranyltransferase 0.0025 0.0216 0.1377
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Brugia malayi hypothetical protein 0.0231 0.4438 1
Brugia malayi hypothetical protein 0.0025 0.021 0.0419
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0025 0.0216 0.0432
Echinococcus granulosus biogenic amine 5HT receptor 0.0148 0.273 0.273
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0216 0.1215
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0067 0.1082 0.1082
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0027 0.0251 0.1524
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0025 0.0216 0.0216
Brugia malayi hypothetical protein 0.0016 0.0031 0.0012
Brugia malayi hypothetical protein 0.0027 0.0251 0.0512
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.021 0.1318
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0027 0.0251 0.1727
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0027 0.0251 0.1524
Loa Loa (eye worm) hypothetical protein 0.0027 0.0251 0.0226
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0503 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.021 0.1163
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0018 0.0078 0.0119
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0067 0.1082 1
Echinococcus multilocularis serine threonine protein kinase 0.0049 0.0702 0.0702
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0027 0.0251 0.1727
Trypanosoma cruzi lanosterol synthase, putative 0.0074 0.1215 1
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0067 0.1082 0.1082
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0067 0.1082 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.021 0.1318
Schistosoma mansoni hypothetical protein 0.0035 0.0426 0.0426
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0018 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0025 0.0216 0.0191
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0025 0.0216 0.0216
Brugia malayi hypothetical protein 0.0035 0.0426 0.0909
Trypanosoma cruzi aminopeptidase, putative 0.0027 0.0251 0.1524
Trypanosoma cruzi protein farnesyltransferase, putative 0.0067 0.1082 0.8824
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0824 0.0824
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0067 0.1082 1
Echinococcus multilocularis serotonin receptor 0.0148 0.273 0.273
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1215
Echinococcus granulosus aminopeptidase N 0.0027 0.0251 0.0251
Loa Loa (eye worm) aminopeptidase N 0.0027 0.0251 0.0226
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0025 0.0216 0.0432
Loa Loa (eye worm) hypothetical protein 0.0025 0.021 0.0185
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0025 0.0216 0.0216
Entamoeba histolytica hypothetical protein 0.0035 0.0426 0.3472
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0027 0.0251 0.0251
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0503 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0027 0.0251 0.1727
Brugia malayi Peptidase family M1 containing protein 0.0027 0.0251 0.0512
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0027 0.0251 0.0251
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0503 1 1
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.0018 0.0078 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0025 0.0025
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0067 0.1082 1
Brugia malayi TATA binding protein associated factor 0.0027 0.0251 0.0512
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0025 0.0216 0.1215
Echinococcus multilocularis protein kinase c epsilon type 0.0016 0.0025 0.0025
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.0018 0.0078 0.0119
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0027 0.0251 0.1727
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1215
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0027 0.0251 0.1727
Leishmania major lanosterol synthase, putative 0.0056 0.0842 0.7611
Entamoeba histolytica hypothetical protein 0.0035 0.0426 0.3472
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Trypanosoma brucei lanosterol synthase 0.0074 0.1215 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0027 0.0251 0.0251
Toxoplasma gondii aminopeptidase N protein 0.0027 0.0251 0.1727
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0039 0.0503 0.0503
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0018 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0148 0.273 0.2712
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0018 0.0078 0.0078
Toxoplasma gondii aminopeptidase N, putative 0.0027 0.0251 0.1727
Echinococcus multilocularis serotonin receptor 0.0148 0.273 0.273
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0067 0.1082 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0027 0.0251 0.1727
Toxoplasma gondii aminopeptidase n, putative 0.0027 0.0251 0.1727
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251
Brugia malayi Peptidase family M1 containing protein 0.0027 0.0251 0.0512
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0067 0.1082 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0025 0.0216 0.1215
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1215
Echinococcus multilocularis RNA directed DNA polymerase 0.0039 0.0503 0.0503
Loa Loa (eye worm) TATA binding protein associated factor 0.0027 0.0251 0.0226
Trypanosoma cruzi aminopeptidase, putative 0.0027 0.0251 0.1524
Loa Loa (eye worm) hypothetical protein 0.0027 0.0251 0.0226
Mycobacterium ulcerans aminopeptidase N PepN 0.0027 0.0251 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0027 0.0251 0.1727
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0025 0.0216 0.0216
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0025 0.0216 0.1377
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0067 0.1082 0.1059
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0025 0.0216 0.0191
Echinococcus granulosus protein kinase c epsilon type 0.0016 0.0025 0.0025
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0027 0.0251 0.1727
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0027 0.0251 0.0251

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) 0 ug hr ml-1 Area under the curve of the compound during intravenous administration; Not determined ChEMBL. 10479301
AUC (ADMET) 0 ug hr ml-1 Area under the curve of the compound during systemic administration; Not determined ChEMBL. 10479301
ED50 (functional) > 1 uM In Vitro inhibition of Ha-Ras procession by using subconfluent NIH3T3 ras-transformed cells ChEMBL. 10479301
ED50 (functional) > 1 uM In Vitro inhibition of Ha-Ras procession by using subconfluent NIH3T3 ras-transformed cells ChEMBL. 10479301
IC50 (binding) = 53 nM In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay ChEMBL. 10479301
IC50 (binding) = 53 nM In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay ChEMBL. 10479301
T1/2 (ADMET) 0 hr Biological half-life of the compound in the rat; Not determined ChEMBL. 10479301

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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