Detailed information for compound 2075344

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.36 | Formula: C19H17FN4O5
  • H donors: 3 H acceptors: 5 LogP: 2.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H](COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C(=O)O)O
  • InChi: 1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1
  • InChiKey: JEFQSGODDXULMW-SECBINFHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Leishmania major hypothetical protein, conserved 0.002 0.0235 0.0559
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0251 0.0251
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0189 0.0189
Trypanosoma brucei uridine phosphorylase 0.0029 0.0434 0.21
Brugia malayi jmjC domain containing protein 0.002 0.0235 0.0253
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0434 0.0296
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0163 0.0163
Treponema pallidum fructose-bisphosphate aldolase 0.0299 0.6664 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0012 0.0051 0.0051
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0434 0.0434
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0116 0.244 0.244
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0189 0.0203
Trichomonas vaginalis set domain proteins, putative 0.0159 0.3427 0.3568
Brugia malayi PHD-finger family protein 0.002 0.0235 0.0252
Brugia malayi jmjC domain containing protein 0.002 0.0235 0.0253
Echinococcus granulosus GA binding protein alpha chain 0.0082 0.1663 0.1663
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Loa Loa (eye worm) hypothetical protein 0.002 0.0235 0.0253
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1412
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0029 0.0434 0.0434
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 0.6664 1
Brugia malayi Telomerase reverse transcriptase 0.0061 0.1187 0.1275
Schistosoma mansoni hypothetical protein 0.0444 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0417
Onchocerca volvulus Alpha 1,3 fucosyltransferase homolog 0.0084 0.1715 0.5005
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0029 0.0434 0.21
Echinococcus multilocularis ewsr:fli fusion protein type 0.0012 0.0051 0.0051
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0012 0.0051 0.0051
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Treponema pallidum pfs protein (pfs) 0.0029 0.0434 0.0417
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0012 0.0051 0.0051
Echinococcus multilocularis glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Brugia malayi Bromodomain containing protein 0.002 0.0235 0.0252
Giardia lamblia UPL-1 0.0029 0.0434 0.0417
Loa Loa (eye worm) uridine phosphorylase 0.0029 0.0434 0.0467
Entamoeba histolytica hypothetical protein 0.006 0.1169 0.1547
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Loa Loa (eye worm) histone methyltransferase 0.001 0.0016 0.0018
Trypanosoma brucei telomerase reverse transcriptase 0.0023 0.0307 0.1114
Echinococcus granulosus lysine specific demethylase 5A 0.0076 0.1536 0.1536
Echinococcus granulosus glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Echinococcus multilocularis ets variant gene 4 0.0012 0.0051 0.0051
Schistosoma mansoni phd/f-box containing protein 0.002 0.0235 0.0235
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0082 0.1663 0.1787
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0073 0.1454 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0189 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.1678 0.1678
Toxoplasma gondii phosphorylase family protein 0.0029 0.0434 0.21
Schistosoma mansoni hypothetical protein 0.006 0.1169 0.1169
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0138 0.295 0.3047
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0472 0.0338
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.002 0.0235 0.0559
Schistosoma mansoni jumonji domain containing protein 0.0102 0.2132 0.2132
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1986
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.002 0.0235 0.0559
Echinococcus granulosus PHD finger protein rhinoceros 0.002 0.0235 0.0235
Schistosoma mansoni hypothetical protein 0.0314 0.7013 0.7013
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0138 0.295 0.3169
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0434 0.0434
Brugia malayi N-terminal motif family protein 0.0131 0.2784 0.2991
Loa Loa (eye worm) hypothetical protein 0.0012 0.0051 0.0055
Loa Loa (eye worm) ets-domain-containing protein 0.0012 0.0051 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0083 0.1678 0.1678
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.2293 0.2293
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0434 0.21
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0023 0.0307 0.1114
Loa Loa (eye worm) jmjC domain-containing protein 0.002 0.0235 0.0253
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.003 0.0472 0.2395
Echinococcus granulosus lysine specific demethylase 6a 0.002 0.0235 0.0235
Schistosoma mansoni transcription factor LCR-F1 0.006 0.1169 0.1169
Leishmania major methylthioadenosine phosphorylase, putative 0.0029 0.0434 0.21
Echinococcus multilocularis JmjC domain containing protein 4 0.002 0.0235 0.0235
Schistosoma mansoni cpg binding protein 0.0033 0.0536 0.0536
Schistosoma mansoni cpg binding protein 0.0033 0.0536 0.0536
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0084 0.1715 0.1842
Loa Loa (eye worm) glutaminase 0.0414 0.931 1
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0051 0.0051
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0189 0.0189
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0251 0.0251
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1986
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.006 0.1169 0.1169
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0029 0.0434 0.0467
Mycobacterium ulcerans glutaminase 0.0414 0.931 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0139 0.2986 0.3207
Schistosoma mansoni hypothetical protein 0.0314 0.7013 0.7013
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0417
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0434 0.21
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0235 0.0252
Schistosoma mansoni ets-related 0.0012 0.0051 0.0051
Schistosoma mansoni gabp alpha 0.0082 0.1663 0.1663
Schistosoma mansoni purine nucleoside phosphorylase 0.0138 0.295 0.295
Echinococcus multilocularis protein C ets 2 0.0012 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0131 0.2784 0.2991
Leishmania major glycosyl transferase, putative 0.0033 0.0546 0.2968
Toxoplasma gondii RNA-directed DNA polymerase 0.0023 0.0307 0.1114
Echinococcus granulosus phd:f box containing protein 0.002 0.0235 0.0235
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.3142 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Schistosoma mansoni cpg binding protein 0.0031 0.0495 0.0495
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.002 0.0235 0.0559
Echinococcus multilocularis jumonji domain containing 1A 0.002 0.0235 0.0235
Echinococcus granulosus JmjC domain containing protein 4 0.002 0.0235 0.0235
Echinococcus granulosus protein C ets 2 0.0012 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0048 0.0872 0.0937
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Echinococcus multilocularis glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Echinococcus granulosus ETS domain containing protein Elk 1 0.0012 0.0051 0.0051
Plasmodium vivax telomerase reverse transcriptase, putative 0.0023 0.0307 0.5304
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0417
Brugia malayi Fli-1 protein 0.0249 0.5504 0.5912
Echinococcus granulosus ETS transcription factor Elf 2 0.0012 0.0051 0.0051
Brugia malayi Ets-domain containing protein 0.0082 0.1663 0.1787
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0029 0.0434 0.0417
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0189 0.0199
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0434 0.21
Echinococcus multilocularis ETS transcription factor Elf 1 0.0012 0.0051 0.0051
Toxoplasma gondii Purine nucleoside phosphorylase 0.0029 0.0434 0.21
Loa Loa (eye worm) fucosyl transferase 0.0198 0.4342 0.4663
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0122 0.0122
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0251 0.0251
Onchocerca volvulus Alhambra homolog 0.002 0.0235 0.0685
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0021 0.0251 0.0251
Brugia malayi CXXC zinc finger family protein 0.0031 0.0495 0.0532
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0189 0.0189
Loa Loa (eye worm) jmjC domain-containing protein 0.002 0.0235 0.0253
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.3142 0.3256
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.003 0.0472 0.0472
Echinococcus granulosus uridine phosphorylase 1 0.0029 0.0434 0.0434
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0189 0.0199
Echinococcus multilocularis phd:f box containing protein 0.002 0.0235 0.0235
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1412
Onchocerca volvulus 0.0159 0.3427 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0029 0.0434 0.0417
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0012 0.0051 0.0055
Schistosoma mansoni ets 0.0012 0.0051 0.0051
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0073 0.1454 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0138 0.295 0.4287
Mycobacterium tuberculosis Conserved hypothetical protein 0.0029 0.0434 0.091
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.1536 0.1536
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0189 0.0189
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0163 0.0175
Echinococcus granulosus ewsr:fli fusion protein type 0.0012 0.0051 0.0051
Toxoplasma gondii histone lysine demethylase JMJD6a 0.002 0.0235 0.0559
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0116 0.244 0.244
Brugia malayi jmjC domain containing protein 0.002 0.0235 0.0253
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0084 0.1716 0.5009
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0017 0.0163 0.5
Echinococcus multilocularis lysine specific demethylase 6a 0.002 0.0235 0.0235
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0083 0.1678 0.1803
Echinococcus multilocularis uridine phosphorylase 1 0.0029 0.0434 0.0434
Brugia malayi hypothetical protein 0.006 0.1169 0.1256
Loa Loa (eye worm) hypothetical protein 0.007 0.139 0.1493
Echinococcus granulosus jumonji domain containing protein 0.0028 0.0414 0.0414
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Brugia malayi MTAP 0.0029 0.0434 0.0467
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0012 0.0051 0.0051
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0434 0.0434
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0189 0.0189
Brugia malayi translation initiation factor 4E 0.0073 0.1454 0.1562
Echinococcus granulosus Transcription initiation factor TFIID subunit 0.0051 0.0946 0.0946
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0417
Echinococcus multilocularis ETS transcription factor Elf 2 0.0012 0.0051 0.0051
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0138 0.295 0.9292
Toxoplasma gondii phosphorylase family protein 0.0029 0.0434 0.21
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0434 0.21
Schistosoma mansoni hypothetical protein 0.0012 0.0051 0.0051
Plasmodium vivax SET domain protein, putative 0.0021 0.0251 0.3238
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1412
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0546 0.2968
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0163 0.0175
Echinococcus multilocularis PHD finger protein rhinoceros 0.002 0.0235 0.0235
Loa Loa (eye worm) fli-1 protein 0.0249 0.5504 0.5912
Schistosoma mansoni elf1 0.0012 0.0051 0.0051
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0029 0.0434 0.0296
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0138 0.295 0.9356
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0109 0.2293 0.2293
Echinococcus multilocularis geminin 0.0314 0.7013 0.7013
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.003 0.0472 0.2395
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0163 0.0175
Plasmodium falciparum telomerase reverse transcriptase 0.0023 0.0307 0.5304
Echinococcus granulosus glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0546 0.2968
Brugia malayi uridine phosphorylase family protein 0.0029 0.0434 0.0467
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0163 0.0163
Echinococcus multilocularis cpg binding protein 0.0033 0.0536 0.0536
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.002 0.0235 0.0235
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Loa Loa (eye worm) hypothetical protein 0.0051 0.0946 0.1016
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Plasmodium falciparum JmjC domain-containing protein, putative 0.002 0.0235 0.2664
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Schistosoma mansoni glutaminase 0.0414 0.931 0.931
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Leishmania major nucleoside phosphorylase-like protein 0.0029 0.0434 0.21
Echinococcus multilocularis glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Giardia lamblia PHD finger protein 15 0.002 0.0235 0.011
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0016 0.0016
Mycobacterium tuberculosis Hypothetical protein 0.0029 0.0434 0.091
Schistosoma mansoni hypothetical protein 0.0056 0.107 0.107
Loa Loa (eye worm) D-ets-2 protein 0.0012 0.0051 0.0055
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.006 0.1169 0.1169
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.1678 0.1678
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.003 0.0472 0.2395
Loa Loa (eye worm) hypothetical protein 0.0021 0.0251 0.027
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Schistosoma mansoni jumonji domain containing protein 0.002 0.0235 0.0235
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.003 0.0472 0.2395
Brugia malayi isocitrate dehydrogenase 0.0018 0.0189 0.0203
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Entamoeba histolytica DNA repair and recombination protein, putative 0.003 0.0472 0.0476
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.2293 0.2293
Entamoeba histolytica hypothetical protein 0.006 0.1169 0.1547
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0189 0.0946
Echinococcus granulosus alpha13fucosyltransferase 0.0084 0.1715 0.1715
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0083 0.1678 0.1678
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0722 0.0775
Entamoeba histolytica hypothetical protein 0.0029 0.0434 0.0417
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0022 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0012 0.0051 0.0055
Entamoeba histolytica hypothetical protein 0.006 0.1169 0.1547
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.3142 1
Giardia lamblia Telomerase catalytic subunit 0.0023 0.0307 0.0221
Schistosoma mansoni alpha(13)fucosyltransferase 0.0198 0.4342 0.4342
Schistosoma mansoni uridine phosphorylase 0.0029 0.0434 0.0434
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0083 0.1678 0.1678
Echinococcus granulosus jumonji domain containing 1A 0.002 0.0235 0.0235
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0417
Echinococcus granulosus peregrin 0.002 0.0235 0.0235
Echinococcus multilocularis alpha(13)fucosyltransferase 0.0084 0.1715 0.1715
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Trichomonas vaginalis glutaminase, putative 0.0414 0.931 1
Brugia malayi Pre-SET motif family protein 0.0021 0.0251 0.027
Echinococcus granulosus glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Brugia malayi Pre-SET motif family protein 0.0139 0.2986 0.3207
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0016 0.0016
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0138 0.295 0.8609
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0083 0.1678 0.1803
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0251 0.0251
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0251 0.0251
Loa Loa (eye worm) translation initiation factor 4E 0.0073 0.1454 0.1562
Schistosoma mansoni alpha(13)fucosyltransferase 0.0198 0.4342 0.4342
Brugia malayi Ets-domain containing protein 0.0012 0.0051 0.0055
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0189 0.0203
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0189 0.0189
Echinococcus granulosus purine nucleoside phosphorylase 0.0138 0.295 0.295
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0235 0.0554
Echinococcus multilocularis purine nucleoside phosphorylase 0.0138 0.295 0.295
Schistosoma mansoni protein phosphatase 2C 0.002 0.0235 0.0235
Echinococcus granulosus glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Echinococcus multilocularis alpha(13)fucosyltransferase 0.0084 0.1715 0.1715
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0073 0.1454 0.1454
Plasmodium vivax JmjC domain containing protein 0.002 0.0235 0.2664
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0073 0.1454 0.1454
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0073 0.1454 1
Echinococcus granulosus ETS transcription factor Elf 1 0.0012 0.0051 0.0051
Schistosoma mansoni phosphatidylserine receptor 0.002 0.0235 0.0235
Schistosoma mansoni alpha(13)fucosyltransferase 0.0198 0.4342 0.4342
Brugia malayi jmjC domain containing protein 0.0076 0.1536 0.165
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0029 0.0434 1
Schistosoma mansoni uridine phosphorylase 0.0029 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0198 0.4342 0.4663
Leishmania major eukaryotic translation initiation factor-like protein 0.0073 0.1454 1
Schistosoma mansoni alpha(13)fucosyltransferase 0.0198 0.4342 0.4342
Schistosoma mansoni hypothetical protein 0.002 0.0235 0.0235
Echinococcus multilocularis ETS transcription factor Elf 5 0.0012 0.0051 0.0051
Echinococcus multilocularis glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Schistosoma mansoni ap endonuclease 0.0017 0.0163 0.0163
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0083 0.1678 0.1678
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0189 0.0199
Schistosoma mansoni hypothetical protein 0.003 0.0472 0.0472
Loa Loa (eye worm) glutaminase 2 0.0414 0.931 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0073 0.1454 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.003 0.0472 0.2395
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0131 0.2784 0.8125
Brugia malayi DNA-binding protein D-ETS-3 0.0012 0.0051 0.0055
Onchocerca volvulus 0.0031 0.0495 0.1445
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Entamoeba histolytica hypothetical protein, conserved 0.003 0.0472 0.0476
Plasmodium falciparum phd finger protein, putative 0.002 0.0235 0.2641
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.003 0.0472 0.0472
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0189 0.0086
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.6664 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0189 0.0199
Schistosoma mansoni purine nucleoside phosphorylase 0.0138 0.295 0.295
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0434 0.21
Brugia malayi glutaminase DH11.1 0.0414 0.931 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0029 0.0434 0.091
Schistosoma mansoni alpha 13/4 fucosyltransferase Lewis 1 0.0114 0.2404 0.2404
Entamoeba histolytica hypothetical protein 0.006 0.1169 0.1547
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0029 0.0434 0.0417
Echinococcus granulosus cpg binding protein 0.0033 0.0536 0.0536
Plasmodium falciparum purine nucleoside phosphorylase 0.0029 0.0434 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.6664 1
Brugia malayi alpha1,3-fucosyltransferase homologue 0.0198 0.4342 0.4663
Echinococcus granulosus geminin 0.0314 0.7013 0.7013
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Chlamydia trachomatis AMP nucleosidase 0.0029 0.0434 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.2293 0.2463
Echinococcus multilocularis Transcription initiation factor TFIID subunit 0.0051 0.0946 0.0946
Schistosoma mansoni alpha(13)fucosyltransferase 0.0033 0.0546 0.0546
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0021 0.0251 0.0251
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0189 0.0946
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0083 0.1678 0.1678
Echinococcus multilocularis glycoprotein 3 alpha L fucosyltransferase 0.0084 0.1715 0.1715
Schistosoma mansoni jumonji/arid domain-containing protein 0.0076 0.1536 0.1536
Plasmodium vivax hypothetical protein, conserved 0.002 0.0235 0.2641
Treponema pallidum uridine phosphorylase (udp) 0.0029 0.0434 0.0417
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0434 0.0296
Loa Loa (eye worm) hypothetical protein 0.002 0.0235 0.0252
Schistosoma mansoni ap endonuclease 0.0017 0.0163 0.0163
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0073 0.1454 0.1454
Schistosoma mansoni alpha(13)fucosyltransferase 0.0198 0.4342 0.4342
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0073 0.1454 0.1412
Echinococcus multilocularis GA binding protein alpha chain 0.0082 0.1663 0.1663
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0029 0.0434 0.0417
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Loa Loa (eye worm) hypothetical protein 0.002 0.0235 0.0253
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0012 0.0051 0.0055
Echinococcus multilocularis jumonji domain containing protein 0.0028 0.0414 0.0414
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0189 0.0199
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0022 0.0276 0.0276
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0434 0.0296
Echinococcus multilocularis dnaJ subfamily B 0.0444 1 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0073 0.1454 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0189 0.0199
Leishmania major telomerase reverse transcriptase, putative 0.0023 0.0307 0.1114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.6664 0.7108
Leishmania major eukaryotic translation initiation factor-like 0.0073 0.1454 1
Loa Loa (eye worm) jmjC domain-containing protein 0.002 0.0235 0.0253
Brugia malayi Ets-domain containing protein 0.0082 0.1663 0.1787
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0019 0.0218 0.0218
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0029 0.0434 0.0296
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0235 0.0554
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0023 0.0307 0.1114
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1154 0.7674
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.1495 0.1495
Brugia malayi Fucosyl transferase family protein 0.0198 0.4342 0.4663
Giardia lamblia Rrm3p helicase 0.003 0.0472 0.0476
Echinococcus granulosus methylthioadenosine phosphorylase 0.0029 0.0434 0.0434
Echinococcus multilocularis peregrin 0.002 0.0235 0.0235
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.002 0.0235 0.0559
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.003 0.0472 0.2395
Schistosoma mansoni ets-related 0.0249 0.5504 0.5504
Onchocerca volvulus 0.0021 0.0251 0.0733
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.003 0.0472 0.2395
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.1317 0.1317
Brugia malayi jmjC domain containing protein 0.0116 0.244 0.262
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.002 0.0235 0.0235
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0138 0.295 0.3047
Brugia malayi transcription factor E74 isoform 0.0012 0.0051 0.0055
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0021 0.0251 0.068
Loa Loa (eye worm) jmjC domain-containing protein 0.0076 0.1536 0.165
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0495 0.0532
Brugia malayi jmjC domain containing protein 0.002 0.0235 0.0253

Activities

Activity type Activity value Assay description Source Reference
AUC metabolite/AUC radiolabel (ADMET) = 6.3 % Drug uptake in human plasma treated with [14C]brivanib alaninate assessed as AUC (0 to 12 hrs) of total radio activity at 800 mg, po administered as single oral dose by HPLC analysis ChEMBL. 21289073
Drug metabolism (ADMET) = 45 % Drug level in human liver microsomes treated with 2 uM [14C](R)-1-(4-(4-fluoro-2-(hydroxymethyl)-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-ol for 60 mins by LC/MS analysis in presence of NADPH ChEMBL. 21989950
IC50 (binding) > 30000 nM Inhibition of human recombinant VEGFR-2 ChEMBL. 21289073
IC50 (binding) > 30000 nM Inhibition of human recombinant FGFR-1 ChEMBL. 21289073

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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