Detailed information for compound 81790

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 723.543 | Formula: C31H28F7NO11
  • H donors: 5 H acceptors: 8 LogP: 4.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](OC1OC(C)C(C(C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O)C[C@](C2)(O)C(=O)C
  • InChi: 1S/C31H28F7NO11/c1-10-22(41)14(39-27(46)29(32,33)30(34,35)31(36,37)38)7-17(49-10)50-16-9-28(47,11(2)40)8-13-19(16)26(45)21-20(24(13)43)23(42)12-5-4-6-15(48-3)18(12)25(21)44/h4-6,10,14,16-17,22,41,43,45,47H,7-9H2,1-3H3,(H,39,46)/t10?,14?,16-,17?,22?,28-/m0/s1
  • InChiKey: RQBKPRMOKCVJDU-WBKQXHNWSA-N  

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
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0056 0.0093
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0152 0.3249 0.5988
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0188 0.0336
Loa Loa (eye worm) hypothetical protein 0.0057 0.1023 0.1879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0341
Loa Loa (eye worm) hypothetical protein 0.0051 0.0904 0.1658
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0015 0.005 0.0136
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1023 0.1879
Schistosoma mansoni hypothetical protein 0.0131 0.2747 0.7651
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0073 0.0124
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0452 0.0404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0188 0.0336
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0357 0.1675
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0073 0.0207
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0557 0.0779
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.3226 0.4061
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.1302 0.3997
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0057 0.1023 0.1879
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0794 0.2432
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.005 0.0081
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0794 0.2432
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0188 0.0176
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Loa Loa (eye worm) hypothetical protein 0.0049 0.0846 0.1552
Echinococcus multilocularis GPCR, family 2 0.0015 0.0069 0.0024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0794 0.3724
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0794 0.5176
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0794 0.0952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0341
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0073 0.0207
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Loa Loa (eye worm) hypothetical protein 0.0246 0.5422 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.025 1
Brugia malayi lysyl-tRNA synthetase 0.0023 0.025 0.0451
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0188 0.0336
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0573 0.175
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0794 0.2432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0294 0.1378
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.005 0.0233
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.002 0.0183 0.0859
Schistosoma mansoni hypothetical protein 0.0015 0.0069 0.0054
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0461 0.2159
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0188 0.0336
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0056 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0188 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0188 0.0336
Loa Loa (eye worm) carbonic anhydrase 3 0.0152 0.3249 0.5988
Brugia malayi steroid hormone receptor 0.0021 0.0188 0.0336
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0152 0.3249 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0188 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0636 0.298
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0461 0.1403
Loa Loa (eye worm) sugar transporter 0.0104 0.2133 0.3929
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0188 0.0336
Brugia malayi Sugar transporter family protein 0.0015 0.005 0.0081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0846 0.1552
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.1302 0.1601
Schistosoma mansoni hypothetical protein 0.0015 0.0056 0.0017
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0451 0.0823
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Mycobacterium ulcerans sugar transporter 0.0015 0.005 0.1803
Leishmania major lysyl-tRNA synthetase, putative 0.0023 0.025 0.0753
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0557 0.1699
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0069 0.0116
Schistosoma mansoni hypothetical protein 0.0166 0.3576 1
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1023 0.1245
Leishmania major glucose transporter, lmgt3 0.0032 0.0461 0.1403
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0414 0.1938
Entamoeba histolytica hypothetical protein 0.0037 0.0578 0.3118
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0069 0.0024
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0069 0.0116
Schistosoma mansoni hypothetical protein 0.0033 0.0486 0.1239
Schistosoma mansoni protein kinase 0.0032 0.0451 0.1139
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1023 0.2761
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0631 0.0743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0295 0.1383
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0405 0.0455
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Echinococcus granulosus geminin 0.0166 0.3576 0.4507
Plasmodium falciparum carbonic anhydrase 0.0057 0.1023 0.0978
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1023 0.2761
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0188 0.0392
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.005 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0188 0.0336
Trypanosoma cruzi hexose transporter 0.0032 0.0461 0.1403
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0452 0.0617
Schistosoma mansoni glucose transport protein 0.0104 0.2133 0.591
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0188 0.0392
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.005 0.0081
Echinococcus granulosus nuclear factor of activated T cells 5 0.0076 0.1486 0.1836
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Trypanosoma brucei sugar transporter, putative 0.0015 0.005 0.0136
Echinococcus multilocularis tumor protein p63 0.0351 0.7872 1
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.5422 0.6867
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0016 0.0073 0.0207
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0341
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.025 0.3046
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0461 0.1403
Schistosoma mansoni glucose transport protein 0.0104 0.2133 0.591
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.025 0.0201
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0188 0.0176
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.5422 0.6867
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0152 0.3249 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.1302 0.3552
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0188 0.0176
Entamoeba histolytica protein kinase, putative 0.0032 0.0451 0.1913
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0188 0.0176
Loa Loa (eye worm) hypothetical protein 0.0023 0.025 0.0451
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0188 0.0176
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0031 0.0436 0.177
Trypanosoma cruzi sugar transporter, putative 0.0015 0.005 0.0136
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0131 0.2747 0.3449
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0557 0.1699
Brugia malayi major facilitator superfamily protein 0.0015 0.005 0.0081
Giardia lamblia Lysyl-tRNA synthetase 0.0023 0.025 0.2689
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0794 0.1456
Echinococcus multilocularis geminin 0.0166 0.3576 0.4507
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0016 0.0073 0.0207
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.1302 0.1601
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0057 0.1023 0.1879
Leishmania major carbonic anhydrase-like protein 0.0152 0.3249 1
Echinococcus granulosus carbonic anhydrase 0.0057 0.1023 0.1245
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0357 0.1675
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0188 0.0176
Echinococcus multilocularis Ankyrin 0.0015 0.0059 0.0012
Brugia malayi ecdysteroid receptor 0.0021 0.0188 0.0336
Giardia lamblia GTOR 0.0047 0.0794 1
Brugia malayi Cam kinase protein 1 0.0032 0.0451 0.0823
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0031 0.0436 0.0795
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0451 0.0823
Trichomonas vaginalis sugar transport protein, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Leishmania major hypothetical protein, conserved 0.0015 0.005 0.0136
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0452 0.0404
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0031 0.0436 0.0795
Brugia malayi nuclear hormone receptor 0.0021 0.0188 0.0336
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0794 0.5176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0188 0.0336
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0188 0.0392
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.1302 0.2394
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.025 0.0201
Plasmodium falciparum hexose transporter 0.0104 0.2133 0.2094
Loa Loa (eye worm) hypothetical protein 0.0032 0.0451 0.0823
Echinococcus granulosus lysyl tRNA synthetase 0.0023 0.025 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0188 0.0336
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0573 0.175
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0188 0.0392
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0436 0.1096
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0794 0.1456
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.025 0.0753
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0188 0.0336
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0069 0.0024
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.005 0.0081
Schistosoma mansoni hypothetical protein 0.0037 0.0578 0.1498
Entamoeba histolytica hypothetical protein 0.0037 0.0578 0.3118
Loa Loa (eye worm) hypothetical protein 0.0015 0.0056 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.005 0.0233
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0461 0.2159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0846 0.1552
Schistosoma mansoni hypothetical protein 0.0015 0.0069 0.0054
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0794 0.2432
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0794 0.2112
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0557 0.1699
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus multilocularis carbonic anhydrase II 0.0152 0.3249 0.409
Trypanosoma cruzi hexose transporter, putative 0.0015 0.005 0.0136
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Echinococcus granulosus General substrate transporter 0.009 0.1793 0.2228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0794 0.3724
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0188 0.0176
Plasmodium vivax hexose transporter 0.0104 0.2133 0.2094
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0452 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.005 0.0233
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0452 0.0404
Schistosoma mansoni hypothetical protein 0.0057 0.1023 0.2761
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0437 0.2048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0572 0.2682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.025 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.005 0.0233
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0188 0.0392
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0013 0.0007 0.0003
Onchocerca volvulus 0.0021 0.0188 0.1617
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0451 0.2115
Entamoeba histolytica hypothetical protein 0.0037 0.0578 0.3118
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.025 0.1171
Echinococcus multilocularis lysyl tRNA synthetase 0.0023 0.025 0.0256
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0023 0.025 0.0753
Echinococcus multilocularis General substrate transporter 0.009 0.1793 0.2228
Loa Loa (eye worm) hypothetical protein 0.0015 0.0059 0.0098
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0076 0.1486 0.1836
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0351 0.1645
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0461 0.2159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0188 0.0336
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0188 0.0176
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0452 0.0404
Brugia malayi nuclear receptor NHR-88 0.0021 0.0188 0.0336
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0104 0.2133 0.2664
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0031 0.0436 0.1096
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0222 0.0668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0572 0.2682
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0056 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0188 0.0176
Loa Loa (eye worm) sugar transporter 0.0015 0.005 0.0081
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0188 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0572 0.2682
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0188 0.0176
Echinococcus granulosus transcription factor Dp 1 0.004 0.0631 0.0743
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0452 0.0404
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1023 0.1879
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1302 0.3997
Leishmania major glucose transporter, lmgt1 0.0032 0.0461 0.1403
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0461 0.1403
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0578 0.0675
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.025 0.0568
Schistosoma mansoni coup transcription factor 0.0021 0.0188 0.0392
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0056 0.0008
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0188 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0294 0.1378
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0069 0.0024
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0451 0.1374
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.005 0.1803
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0874 0.1603
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0056 0.0017
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0188 0.0176
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0131 0.2747 0.3449
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0188 0.0336
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0573 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0572 0.2682
Trichomonas vaginalis glucose transporter, putative 0.0015 0.005 0.0233
Echinococcus granulosus death domain containing protein 0.0015 0.0056 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0188 0.0336
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1302 0.3997
Brugia malayi Sugar transporter family protein 0.0104 0.2133 0.3929
Toxoplasma gondii facilitative glucose transporter GT1 0.0104 0.2133 0.3201
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0578 0.1498
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0188 0.0336
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0152 0.3249 0.5988
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0188 0.0336
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0056 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0073 0.003
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0168 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0188 0.1617
Brugia malayi major facilitator superfamily protein 0.0015 0.005 0.0081
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0188 0.1617
Brugia malayi Death domain containing protein 0.0015 0.0056 0.0093
Echinococcus granulosus carbonic anhydrase 0.0057 0.1023 0.1245
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0031 0.0436 0.2044
Schistosoma mansoni lysyl-tRNA synthetase 0.0023 0.025 0.0568
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0557 0.051
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0461 0.2159
Schistosoma mansoni hypothetical protein 0.0015 0.0069 0.0054
Toxoplasma gondii hypothetical protein 0.0057 0.1023 0.1495
Plasmodium falciparum protein kinase 7 0.0295 0.6559 0.6542
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0168 1
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Schistosoma mansoni glucose transport protein 0.0104 0.2133 0.591
Schistosoma mansoni hypothetical protein 0.0104 0.2133 0.591
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1023 0.1245
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0188 0.0176
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0016 0.0073 0.0207
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0188 0.0176
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Brugia malayi Sugar transporter family protein 0.0015 0.005 0.0081
Trypanosoma cruzi hexose transporter, putative 0.0018 0.012 0.0352
Echinococcus granulosus carbonic anhydrase 0.0057 0.1023 0.1245
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.2133 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.005 0.0233
Leishmania major glucose transporter, lmgt2 0.0032 0.0461 0.1403
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0516 0.0717
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.025 0.5
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Brugia malayi Protein kinase domain containing protein 0.0017 0.0102 0.0178
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0057 0.1023 0.1879
Echinococcus granulosus tumor protein p63 0.0351 0.7872 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0073 0.0124
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0846 0.1552
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3226 0.9009
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1023 0.1879
Toxoplasma gondii protein kinase, putative 0.0295 0.6559 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0188 0.0336
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0188 0.1617
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0461 0.2159
Echinococcus granulosus carbonic anhydrase II 0.0152 0.3249 0.409
Loa Loa (eye worm) hypothetical protein 0.0033 0.0486 0.0888
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0188 0.0176
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0168 0.3627 0.5495
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0486 0.0888
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0572 0.2682
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Leishmania major myo-inositol/proton symporter (MIT) 0.0015 0.005 0.0136
Brugia malayi hypothetical protein 0.0037 0.0578 0.1057
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0452 0.0404
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0452 0.0617
Loa Loa (eye worm) hypothetical protein 0.0015 0.0069 0.0116
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0152 0.3249 0.9073
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Brugia malayi Uncoordinated protein 44 0.0015 0.0056 0.0093
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0031 0.0436 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0056 0.0008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0188 0.0176
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0794 0.2432
Onchocerca volvulus 0.0051 0.0904 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0069 0.0024
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Schistosoma mansoni protein kinase 0.0032 0.0451 0.1139
Loa Loa (eye worm) hypothetical protein 0.0031 0.0436 0.0795
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Schistosoma mansoni carbonic anhydrase 0.0057 0.1023 0.2761
Brugia malayi hypothetical protein 0.0015 0.005 0.0081
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0578 0.0675
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0188 0.0336
Leishmania major protein kinase, putative 0.0032 0.0451 0.1374
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1302 0.3997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0516 0.242
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0451 0.1139
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0059 0.0026
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0188 0.0336
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0104 0.2133 0.2664
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0461 0.2159
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0073 0.003
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trypanosoma cruzi glucose transporter, putative 0.0015 0.005 0.0136
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.005 0.0081
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0557 0.1699
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0341
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0405 0.0455
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0794 0.0952
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0461 0.1403
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0188 0.0336
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0461 0.1403
Onchocerca volvulus 0.005 0.0874 0.9653
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.005 0.0081
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0188 0.0336
Trypanosoma brucei carbonic anhydrase-like protein 0.0152 0.3249 1
Schistosoma mansoni protein kinase 0.0032 0.0451 0.1139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0295 0.1383
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0188 0.0392
Trypanosoma brucei glucose transporter 2A 0.0032 0.0461 0.1403
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1023 0.2761
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0461 0.2159
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0557 0.051
Trichomonas vaginalis myo-inositol transporter, putative 0.0015 0.005 0.0233
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0152 0.3249 0.9073
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0461 0.1403
Schistosoma mansoni survival motor neuron protein 0.005 0.0874 0.2338
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0451 0.0513
Loa Loa (eye worm) hypothetical protein 0.0057 0.1023 0.1879
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0904 0.2422
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0794 0.2432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0294 0.1378
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0056 0.0008
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.1302 0.2394
Leishmania major phosphatidylinositol 3-kinase, putative 0.0016 0.0073 0.0207
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1023 0.1245
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0188 0.0336
Schistosoma mansoni hypothetical protein 0.005 0.0874 0.2338
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0188 0.0392
Loa Loa (eye worm) hypothetical protein 0.0057 0.1023 0.1879
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Trypanosoma brucei glucose transporter 1E 0.0032 0.0461 0.1403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0357 0.1675
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0188 0.0392
Schistosoma mansoni hypothetical protein 0.0166 0.3576 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0188 0.0336
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0451 0.0513
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0461 0.1403
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0451 0.0823
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0452 0.0404
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0188 0.0176
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.016 0.0475
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0031 0.0436 0.0494
Echinococcus granulosus GPCR family 2 0.0015 0.0069 0.0024
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Loa Loa (eye worm) hypothetical protein 0.0031 0.0436 0.0795
Brugia malayi hypothetical protein 0.0015 0.005 0.0081
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0557 0.1699
Brugia malayi hypothetical protein 0.0015 0.005 0.0081
Brugia malayi hypothetical protein 0.0246 0.5422 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0031 0.0436 0.0494
Schistosoma mansoni netrin receptor unc5 0.0015 0.0056 0.0017
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081
Trypanosoma brucei glucose transporter, putative 0.0032 0.0461 0.1403
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0188 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0295 0.1383
Toxoplasma gondii lysine-tRNA ligase 0.0023 0.025 0.0308
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0069 0.0116
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0073 0.0066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0295 0.1383
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0168 0.3627 0.3595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0073 0.0341
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.005 0.1803
Entamoeba histolytica hypothetical protein 0.0037 0.0578 0.3118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0794 0.3724
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.005 0.1803
Plasmodium vivax CDK-related protein kinase 6, putative 0.0442 1 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0451 0.1913
Giardia lamblia Prolyl-tRNA synthetase 0.0031 0.0436 0.5189
Schistosoma mansoni hypothetical protein 0.0015 0.0069 0.0054
Schistosoma mansoni thyroid hormone receptor 0.0151 0.3226 0.9009
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0452 0.0404
Loa Loa (eye worm) hypothetical protein 0.0025 0.03 0.0543
Plasmodium falciparum mitogen-activated protein kinase 2 0.0168 0.3627 0.3595
Trichomonas vaginalis sugar transporter, putative 0.0015 0.005 0.0233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0351 0.1645
Loa Loa (eye worm) hypothetical protein 0.0021 0.0188 0.0336
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.1302 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0152 0.3249 0.5988
Echinococcus granulosus Ankyrin 0.0015 0.0059 0.0012
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0452 0.0617
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.0081

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) > 1.35 uM Inhibitory activity against CCRF-CEM(human leukemic lymphoblastic) cells in culture. ChEMBL. 7057426
ID50 (functional) > 1.35 uM Inhibitory activity against CCRF-CEM(human leukemic lymphoblastic) cells in culture. ChEMBL. 7057426
ILS (functional) = 45 % In vivo growth inhibitory activity was measured against murine P388 leukemia cells as Percent increase in life span at the dose of 40.0 mg/kg/day ChEMBL. 7057426
ILS (functional) = 45 % In vivo growth inhibitory activity was measured against murine P388 leukemia cells as Percent increase in life span at the dose of 40.0 mg/kg/day ChEMBL. 7057426

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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