Detailed information for compound 926921

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.62 | Formula: C27H23N3O2S2
  • H donors: 0 H acceptors: 1 LogP: 6.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1CC(=NN1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)C)c1ccccc1
  • InChi: 1S/C27H23N3O2S2/c1-18-8-12-21(13-9-18)30-26(31)25(34-27(30)33)17-29-24(20-10-14-22(32-2)15-11-20)16-23(28-29)19-6-4-3-5-7-19/h3-15,17,24H,16H2,1-2H3/b25-17-
  • InChiKey: NSGLDRXTVIVWAD-UQQQWYQISA-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
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0182 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1129 0.1486
Schistosoma mansoni diacylglycerol kinase theta 0.0026 0.0094 0.0111
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0074 0.0864
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0182 0.282
Schistosoma mansoni rac gtpase activating protein 0.0026 0.0094 0.0111
Entamoeba histolytica diacylglycerol kinase, putative 0.0026 0.0094 0.1224
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Echinococcus granulosus neuropeptide receptor A26 0.0975 1 1
Schistosoma mansoni pyruvate kinase 0.0034 0.0182 0.0226
Loa Loa (eye worm) hypothetical protein 0.0125 0.1129 0.1486
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0832 0.1077
Brugia malayi Protein kinase c protein 2 0.0026 0.0099 0.0138
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.0405 0.6888
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0182 0.0406
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.0711 0.0702
Echinococcus multilocularis neuropeptide receptor A26 0.0975 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0133 0.0124
Echinococcus multilocularis raf serine:threonine protein kinase 0.0734 0.7482 0.7479
Echinococcus multilocularis myotubularin protein 13 0.0026 0.0094 0.0085
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0182 0.0497
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.022 0.212 0.7864
Schistosoma mansoni unc-13 (munc13) 0.0026 0.0094 0.0111
Brugia malayi C1-like domain containing protein 0.0026 0.0099 0.0138
Echinococcus multilocularis pyruvate kinase 0.0034 0.0182 0.0173
Onchocerca volvulus 0.0057 0.0419 0.1398
Echinococcus granulosus pyruvate kinase 0.0034 0.0182 0.0173
Echinococcus multilocularis musashi 0.0057 0.0419 0.0411
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.0575 1
Echinococcus multilocularis lamin 0.0057 0.0419 0.0411
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.0575 1
Echinococcus multilocularis protein kinase c iota type 0.0026 0.0099 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0274 0.2689 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.2507 0.3344
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0099 0.0118
Loa Loa (eye worm) dTDP-4-dehydrorhamnose 3,5-epimerase 0.0274 0.2689 0.3589
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0101
Schistosoma mansoni rab6-interacting 0.0021 0.0051 0.0054
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0122 0.1101 0.4037
Chlamydia trachomatis pyruvate kinase 0.0034 0.0182 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0095 0.124
Echinococcus granulosus protein kinase c epsilon type 0.0026 0.0099 0.009
Brugia malayi Pleckstrin Homology Domain 0.0026 0.0094 0.013
Echinococcus granulosus arachidonate 5 lipoxygenase 0.006 0.0453 0.0444
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0419 0.0529
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0144 0.0135
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0026 0.0099 0.009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0144 0.0135
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0182 0.0208
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.0405 0.0396
Echinococcus granulosus Diacylglycerol kinase theta 0.0026 0.0094 0.0085
Onchocerca volvulus 0.0052 0.0374 0.1225
Echinococcus granulosus intermediate filament protein 0.0057 0.0419 0.0411
Brugia malayi Pre-SET motif family protein 0.003 0.0144 0.02
Leishmania major pyruvate kinase 0.0034 0.0182 0.282
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0235 0.0226
Schistosoma mansoni protein kinase C 0.0026 0.0094 0.0111
Brugia malayi Pre-SET motif family protein 0.0212 0.2039 0.2826
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0144 0.0177
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.0711 0.0918
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0026 0.0094 0.009
Schistosoma mansoni lipoxygenase 0.006 0.0453 0.0581
Schistosoma mansoni atypical protein kinase C 0.0026 0.0099 0.0118
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0026 0.0094 0.0085
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0051 0.0042
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0076 0.3857
Schistosoma mansoni unc-13 (munc13) 0.0026 0.0094 0.0111
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0076 0.1682
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0182 0.0581
Echinococcus multilocularis microtubule associated protein 2 0.075 0.7649 0.7646
Wolbachia endosymbiont of Brugia malayi nucleoside-diphosphate-sugar epimerase 0.0068 0.0533 1
Schistosoma mansoni loxhd1 0.0021 0.0051 0.0054
Echinococcus multilocularis pyruvate kinase 0.0027 0.0107 0.0098
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0182 0.4361
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0144 0.02
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0026 0.0094 0.0085
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0832 0.0823
Mycobacterium leprae dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-RHAMNOSE MODIFICATION PROTEIN) (dTDP-RHAMNOSE BIOSYNTHESIS PROTEIN) (dTDP-RH 0.0152 0.1414 0.5123
Echinococcus granulosus Protein kinase C brain isozyme 0.0026 0.0099 0.009
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0405 0.1419
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0095 0.4979
Onchocerca volvulus 0.0241 0.2344 0.8693
Echinococcus granulosus lamin 0.0057 0.0419 0.0411
Mycobacterium ulcerans dTDP-4-dehydrorhamnose 3,5-epimerase, RmlC 0.0274 0.2689 1
Brugia malayi Ras association domain family 1 isoform A 0.0026 0.0094 0.013
Schistosoma mansoni lamin 0.0057 0.0419 0.0537
Brugia malayi MAP kinase sur-1 0.0055 0.0405 0.0561
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0076 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0026 0.0094 0.0111
Brugia malayi RhoGEF domain containing protein 0.0026 0.0094 0.013
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0575 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0026 0.0094 0.0085
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0419 0.0529
Brugia malayi Raf kinase 0.0708 0.7215 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0027 0.0453
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0076 0.0887
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0026 0.0099 0.0098
Echinococcus granulosus protein kinase c iota type 0.0026 0.0099 0.009
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.2039 0.2712
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0095 0.4979
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.0405 0.6888
Leishmania major hypothetical protein, conserved 0.0026 0.0095 0.124
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0257 0.2504 0.334
Entamoeba histolytica hypothetical protein 0.0026 0.0094 0.1224
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Onchocerca volvulus 0.0026 0.0094 0.0165
Echinococcus multilocularis N chimaerin 0.0026 0.0094 0.0085
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0027 0.1038
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0051 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0832 0.1077
Echinococcus multilocularis pyruvate kinase 0.0034 0.0182 0.0173
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0064
Schistosoma mansoni lipoxygenase 0.0021 0.0051 0.0054
Echinococcus granulosus myotubularin protein 13 0.0026 0.0094 0.0085
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0026 0.0099 0.009
Brugia malayi hypothetical protein 0.0026 0.0095 0.0132
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0405 0.1419
Loa Loa (eye worm) hypothetical protein 0.0056 0.0408 0.0514
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0144 0.3419
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0026 0.0094 0.009
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0182 0.0581
Loa Loa (eye worm) hypothetical protein 0.0021 0.0051 0.0032
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0074 0.0064
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0182 0.282
Brugia malayi diacylglycerol kinase 0.0026 0.0094 0.013
Echinococcus multilocularis protein kinase c epsilon type 0.0026 0.0099 0.009
Trichomonas vaginalis DTDP-4-dehydrorhamnose 3,5-epimerase, putative 0.0274 0.2689 1
Plasmodium vivax SET domain protein, putative 0.003 0.0144 0.784
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0113 0.0104
Brugia malayi protein kinase C3,putative 0.0026 0.0099 0.0138
Loa Loa (eye worm) hypothetical protein 0.0034 0.0182 0.0208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0177
Leishmania major pyruvate kinase 0.0034 0.0182 0.282
Schistosoma mansoni hypothetical protein 0.0039 0.0235 0.0296
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0051 0.0042
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0144 0.0135
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0099 0.0118
Entamoeba histolytica hypothetical protein 0.0039 0.0235 0.3792
Echinococcus granulosus RUN 0.0021 0.0051 0.0042
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0575 1
Echinococcus multilocularis protein kinase c eta type 0.0026 0.0094 0.0085
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0051 0.2408
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0832 0.1085
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0826 0.8444 0.8442
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0405 0.6888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0832 0.1153
Schistosoma mansoni diacylglycerol kinase theta 0.0026 0.0094 0.0111
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0076 0.0183
Brugia malayi hypothetical protein 0.0021 0.0051 0.007
Schistosoma mansoni pyruvate kinase 0.0034 0.0182 0.0226
Echinococcus multilocularis neuropeptide s receptor 0.0975 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.0575 0.0797
Brugia malayi hypothetical protein 0.0257 0.2507 0.3475
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0405 0.0518
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0144 0.0158
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0832 0.0823
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.026 0.0251
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.0023
Echinococcus granulosus unc 13 munc13 0.0026 0.0094 0.0085
Schistosoma mansoni lamin 0.0057 0.0419 0.0537
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0095 0.2171
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0026 0.0094 0.0085
Onchocerca volvulus Huntingtin homolog 0.0125 0.1129 0.4087
Schistosoma mansoni protein kinase C mu 0.0026 0.0099 0.0118
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0026 0.0099 0.0098
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.0711 0.0985
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0099 0.0118
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0099 0.0118
Onchocerca volvulus 0.0026 0.0094 0.0165
Loa Loa (eye worm) hypothetical protein 0.0085 0.0711 0.0922
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0026 0.0094 0.0111
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.0711 0.0702
Echinococcus granulosus protein kinase c eta type 0.0026 0.0094 0.0085
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0374 0.0518
Entamoeba histolytica hypothetical protein 0.0039 0.0235 0.3792
Giardia lamblia Pyruvate kinase 0.0034 0.0182 0.4361
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0099 0.0118
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.0405 0.0396
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0182 0.0252
Schistosoma mansoni polycystin 1-related 0.0021 0.0051 0.0054
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0026 0.0099 0.0138
Brugia malayi intermediate filament protein 0.0057 0.0419 0.0581
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.0405 0.6888
Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD (dTDP-rhamnose modification protein) (dTDP-rhamnose biosynthesis protein) (dTDP-rh 0.022 0.212 0.7864
Trichomonas vaginalis set domain proteins, putative 0.0241 0.2344 0.8705
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0076 0.3857
Brugia malayi RhoGAP domain containing protein 0.0026 0.0094 0.013
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0095 0.124
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0095 0.4979
Loa Loa (eye worm) RasGEF domain-containing protein 0.0026 0.0094 0.009
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.0405 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0113 0.0104
Brugia malayi hypothetical protein 0.0125 0.1129 0.1565
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0182 0.282
Brugia malayi hypothetical protein 0.0039 0.0235 0.0326
Mycobacterium leprae dTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE RMLC (dTDP-4-KETO-6-DEOXYGLUCOSE 3,5-EPIMERASE) (dTDP-L-RHAMNOSE SYNTHETASE) (THYMIDINE DIP 0.0274 0.2689 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0182 0.0581
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0051 0.0042
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0026 0.0094 0.0085
Schistosoma mansoni hypothetical protein 0.0026 0.0094 0.0111
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0076 0.0887
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0182 0.0208
Schistosoma mansoni rab6-interacting 0.0021 0.0051 0.0054
Echinococcus multilocularis Rac GTPase activating protein 1 0.0026 0.0094 0.0085
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0101
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Onchocerca volvulus 0.0085 0.0711 0.2502
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0076 0.0183
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0076 0.0961
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.0405 1
Schistosoma mansoni hypothetical protein 0.0021 0.0051 0.0054
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0026 0.0099 0.009
Echinococcus multilocularis RUN 0.0021 0.0051 0.0042
Brugia malayi dTDP-4-dehydrorhamnose 3,5-epimerase 0.0274 0.2689 0.3727
Echinococcus multilocularis lamin dm0 0.0057 0.0419 0.0411
Brugia malayi Variant SH3 domain containing protein 0.0026 0.0094 0.013
Mycobacterium ulcerans dTDP-6-deoxy-L-lyxo-4-hexulose reductase RmlD 0.022 0.212 0.7864
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.0405 0.0396
Brugia malayi hypothetical protein 0.0021 0.0051 0.007
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0027 0.0018
Loa Loa (eye worm) hypothetical protein 0.0027 0.0113 0.0116
Echinococcus granulosus microtubule associated protein 2 0.075 0.7649 0.7646
Onchocerca volvulus 0.0026 0.0094 0.0165
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0027 0.0453
Entamoeba histolytica hypothetical protein 0.0039 0.0235 0.3792
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0416 0.4167 0.5582
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0027 0.0018
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0027 0.0037
Loa Loa (eye worm) hypothetical protein 0.0057 0.0419 0.0529
Onchocerca volvulus Huntingtin homolog 0.0125 0.1129 0.4087
Loa Loa (eye worm) hypothetical protein 0.0026 0.0095 0.0092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0832 0.0823
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0405 0.1419
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0182 0.0497
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0405 0.1419
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0027 0.1038
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0575 1
Entamoeba histolytica hypothetical protein 0.0024 0.0076 0.0887
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.0405 0.6888
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.0575 0.0567
Brugia malayi Protein kinase domain containing protein 0.0026 0.0099 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0734 0.7482 0.9781
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0235 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0177
Loa Loa (eye worm) raf kinase 0.073 0.7444 1
Echinococcus granulosus transcription factor Dp 1 0.0042 0.026 0.0251
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.0575 0.0741
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.0575 0.0739
Brugia malayi protein kinase C II. 0.0026 0.0099 0.0138
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0182 0.0208
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.0405 0.6888
Schistosoma mansoni intermediate filament proteins 0.0057 0.0419 0.0537
Schistosoma mansoni hypothetical protein 0.0052 0.0374 0.0477
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.0405 0.0509
Onchocerca volvulus 0.003 0.0144 0.0355
Echinococcus multilocularis unc 13 (munc13) 0.0026 0.0094 0.0085
Echinococcus granulosus pyruvate kinase 0.0034 0.0182 0.0173
Echinococcus granulosus raf serine:threonine protein kinase 0.0734 0.7482 0.7479
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0832 0.0823
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0076 0.0183
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0026 0.0099 0.0098
Schistosoma mansoni ap endonuclease 0.0019 0.0027 0.0023
Schistosoma mansoni vav2 0.0026 0.0094 0.0111
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.2507 0.2501
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.006 0.0453 0.0444
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0182 0.282
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0051 0.2408
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.0575 0.0567
Entamoeba histolytica hypothetical protein 0.0039 0.0235 0.3792
Brugia malayi diacylglycerol kinase 0.0026 0.0094 0.013
Plasmodium falciparum pyruvate kinase 0.0034 0.0182 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0026 0.0094 0.2149
Schistosoma mansoni survival motor neuron protein 0.0052 0.0374 0.0477
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.0405 0.0396
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0419 0.0581
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0051 0.0042
Schistosoma mansoni microtubule-associated protein tau 0.075 0.7649 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0235 0.0226
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0026 0.0094 0.009
Echinococcus granulosus Rac GTPase activating protein 1 0.0026 0.0094 0.0085
Entamoeba histolytica diacylglycerol kinase, putative 0.0026 0.0094 0.1224
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0076 0.1682
Loa Loa (eye worm) hypothetical protein 0.003 0.0144 0.0158
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Brugia malayi follicle stimulating hormone receptor 0.0257 0.2504 0.3471
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.2507 0.2501
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0051 0.0032
Trypanosoma brucei protein kinase, putative 0.0055 0.0405 0.6888
Echinococcus granulosus lamin dm0 0.0057 0.0419 0.0411
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0832 0.1077
Loa Loa (eye worm) hypothetical protein 0.0026 0.0094 0.009
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0182 0.0252
Onchocerca volvulus 0.0274 0.2689 1
Echinococcus granulosus N chimaerin 0.0026 0.0094 0.0085
Onchocerca volvulus 0.0057 0.0419 0.1398
Mycobacterium tuberculosis dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (dTDP-4-keto-6-deoxyglucose 3,5-epimerase) (dTDP-L-rhamnose synthetase) (thymidine dip 0.0274 0.2689 1
Brugia malayi Doublecortin family protein 0.0021 0.0051 0.007
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.0405 0.6888
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0095 0.124
Brugia malayi RhoGAP domain containing protein 0.0026 0.0094 0.013
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0051 0.0042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0051 0.0032
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0182 0.0497
Schistosoma mansoni protein kinase C mu 0.0026 0.0094 0.0111
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0182 0.0581

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 17.8 % Anti-trypanosomal activity against Trypanosoma brucei gambiense Feo bloodstream forms assessed as inhibition of parasite growth rate at 50 ug/mL after 72 hrs by resazurin assay ChEMBL. 25089808
IC50 (functional) = 1.5 uM Anti-trypanosomal activity against Trypanosoma brucei gambiense Feo bloodstream forms assessed as inhibition of parasite growth rate after 72 hrs by resazurin assay ChEMBL. 25089808

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense ChEMBL23 25089808

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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