Detailed information for compound 1863162

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.355 | Formula: C23H22Cl2F3N5
  • H donors: 2 H acceptors: 2 LogP: 7.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCCNc1cc(c2ccc(cc2)C(F)(F)F)c(c2n1c1ccccc1n2)C#N.Cl.Cl
  • InChi: 1S/C23H20F3N5.2ClH/c1-2-28-11-12-29-21-13-17(15-7-9-16(10-8-15)23(24,25)26)18(14-27)22-30-19-5-3-4-6-20(19)31(21)22;;/h3-10,13,28-29H,2,11-12H2,1H3;2*1H
  • InChiKey: TUVISFLFQFQXED-UHFFFAOYSA-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
Onchocerca volvulus 0.01 0.2907 0.3357
Plasmodium falciparum importin beta, putative 0.0028 0.0643 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0061 0.0061
Echinococcus multilocularis muscleblind protein 0.0324 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0542 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0959 0.4755
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0407 0.1434
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0341 0.0306
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0144 0.0144
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0542 0.0542
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1634 0.1634
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0959 0.0912
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0061 0.0061
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0542 0.2147
Loa Loa (eye worm) hypothetical protein 0.0019 0.0341 0.0341
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0632 0.271
Onchocerca volvulus 0.0277 0.8537 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0019 0.0341 0.0341
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3457 0.3457
Loa Loa (eye worm) hypothetical protein 0.0025 0.0542 0.0542
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1444 0.1444
Loa Loa (eye worm) TAR-binding protein 0.0124 0.3684 0.3684
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1634 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.1798 0.1798
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1798 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0959 0.482
Loa Loa (eye worm) hypothetical protein 0.0028 0.0632 0.0632
Echinococcus granulosus importin subunit beta 1 0.0028 0.0643 0.0643
Echinococcus multilocularis musashi 0.003 0.0694 0.0694
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0061 0.0061
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0061 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0061 0.0061
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0341 0.0182
Brugia malayi Importin beta-1 subunit 0.0028 0.0643 0.0643
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0959 0.0912
Loa Loa (eye worm) hypothetical protein 0.0014 0.0187 0.0187
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0204 0.0204
Entamoeba histolytica Ran family GTPase 0.0021 0.0407 0.13
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.1798 0.1931
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0061 0.0066
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0542 0.1761
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0855 0.0855
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0254 0.0254
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0332 0.0831
Onchocerca volvulus 0.003 0.0694 0.0747
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0632 0.271
Echinococcus granulosus intermediate filament protein 0.003 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0019 0.0341 0.0341
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0694 0.0694
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0061 0.0066
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0542 0.2147
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0542 0.2147
Plasmodium vivax SET domain protein, putative 0.0035 0.0855 1
Schistosoma mansoni alpha-glucosidase 0.0148 0.4449 0.4777
Plasmodium vivax importin-beta 2, putative 0.0028 0.0643 0.5955
Trypanosoma brucei glucosidase, putative 0.0038 0.0959 0.4755
Brugia malayi RNA binding protein 0.0124 0.3684 0.3684
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0061 0.0066
Schistosoma mansoni thyroid hormone receptor 0.001 0.0061 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3684 0.3956
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0959 0.4755
Loa Loa (eye worm) hypothetical protein 0.0028 0.0643 0.0643
Entamoeba histolytica hypothetical protein 0.0023 0.0474 0.172
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.1798 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0632 0.5744
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1634 1
Echinococcus granulosus lamin dm0 0.003 0.0694 0.0694
Echinococcus granulosus lamin 0.003 0.0694 0.0694
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0542 0.1616
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.1444 0.1444
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0542 0.1616
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0061 0.0066
Schistosoma mansoni coup transcription factor 0.001 0.0061 0.0066
Trichomonas vaginalis set domain proteins, putative 0.0277 0.8537 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0187 0.0187
Schistosoma mansoni ap endonuclease 0.0018 0.0332 0.0356
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0061 0.0061
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0407 0.13
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0959 0.0912
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0332 0.0332
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.521 0.521
Onchocerca volvulus 0.003 0.0694 0.0747
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0542 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0632 0.9645
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0407 0.13
Onchocerca volvulus 0.0011 0.0101 0.0046
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0061 0.0061
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0959 0.0912
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.1798 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0474 0.172
Brugia malayi intermediate filament protein 0.003 0.0694 0.0694
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0332 0.0831
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0542 0.1616
Loa Loa (eye worm) hypothetical protein 0.0035 0.0855 0.0855
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3684 0.3956
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0332 0.0831
Echinococcus granulosus FTZ F1 alpha 0.001 0.0061 0.0061
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0542 0.1616
Brugia malayi nuclear receptor NHR-88 0.001 0.0061 0.0061
Leishmania major GTP-binding protein, putative 0.0021 0.0407 0.13
Schistosoma mansoni thyroid hormone receptor 0.001 0.0061 0.0066
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0624 0.0624
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0341 0.0245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0855 0.0918
Loa Loa (eye worm) hypothetical protein 0.0324 1 1
Schistosoma mansoni lamin 0.003 0.0694 0.0745
Onchocerca volvulus 0.0035 0.0855 0.0936
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0474 0.033
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1634 0.1755
Loa Loa (eye worm) intermediate filament protein 0.003 0.0694 0.0694
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0061 0.0061
Echinococcus multilocularis snurportin 1 0.0302 0.9313 0.9313
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.521 0.521
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0959 0.0959
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.1444 0.1444
Schistosoma mansoni importin beta-1 0.0028 0.0643 0.0691
Brugia malayi Pre-SET motif family protein 0.0244 0.747 0.747
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0332 0.0831
Brugia malayi TAR-binding protein 0.0124 0.3684 0.3684
Mycobacterium ulcerans hypothetical protein 0.0025 0.0542 0.1616
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0332 0.5
Brugia malayi hypothetical protein 0.0018 0.0319 0.0319
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0332 0.0332
Schistosoma mansoni ap endonuclease 0.0018 0.0332 0.0356
Brugia malayi Cytochrome P450 family protein 0.0028 0.0624 0.0624
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0204 0.0204
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0632 0.2308
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0332 0.0831
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0855 0.0855
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0855 0.4017
Schistosoma mansoni lamin 0.003 0.0694 0.0745
Echinococcus multilocularis muscleblind protein 1 0.0324 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0407 0.2408
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0061 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3684 0.3956
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0407 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0959 0.0912
Echinococcus granulosus tar DNA binding protein 0.0124 0.3684 0.3684
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0474 0.033
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0959 0.0912
Loa Loa (eye worm) RNA binding protein 0.0124 0.3684 0.3684
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0959 0.0959
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.9313 0.9313
Schistosoma mansoni ran 0.0021 0.0407 0.0437
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0542 0.1616
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0061 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0061 0.0061
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1798 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0542 0.1761
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0855 0.0918
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0061 0.0061
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1634 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor 0.001 0.0061 0.0066
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0855 0.0855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0061 0.0061
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0407 0.0576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0855 0.0918
Trichomonas vaginalis ran, putative 0.0021 0.0407 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1444 0.1551
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.0199 0.0162
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0632 0.271
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0935 0.0935
Brugia malayi ecdysteroid receptor 0.001 0.0061 0.0061
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0959 0.4755
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1444 0.1551
Brugia malayi nuclear hormone receptor 0.001 0.0061 0.0061
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0542 0.0542
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3684 0.3956
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.521 0.521
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1634 0.1755
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0061 0.0061
Echinococcus multilocularis lamin dm0 0.003 0.0694 0.0694
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0542 0.1616
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0254 0.0254
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0061 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0061 0.0061
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0025 0.0542 0.0542
Echinococcus granulosus snurportin 1 0.0302 0.9313 0.9313
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0061 0.0066
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0632 0.9645
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0332 0.0159
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0643 0.2779
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.1798 0.1798
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0332 0.0173
Brugia malayi Pre-SET motif family protein 0.0035 0.0855 0.0855
Brugia malayi hypothetical protein 0.0028 0.0632 0.0632
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.1798 0.1798
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.521 0.521
Brugia malayi MH2 domain containing protein 0.0117 0.3457 0.3457
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0061 0.0066
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0959 0.0959
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0474 0.033
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0061 0.0061
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1634 0.1634
Schistosoma mansoni ran 0.0021 0.0407 0.0437
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.003 0.0694 0.0694
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.1444 0.1444
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3684 0.3956
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0332 0.0159
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0935 0.0935
Schistosoma mansoni hypothetical protein 0.0302 0.9313 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0061 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0061 0.0061
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0959 0.0912
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0959 0.4755
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0407 0.0407
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.521 0.521
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0959 0.4755
Leishmania major hypothetical protein, conserved 0.0028 0.0632 0.271
Brugia malayi steroid hormone receptor 0.001 0.0061 0.0061
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0341 0.0073
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0061 0.0061
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0061 0.0061
Echinococcus multilocularis tar DNA binding protein 0.0124 0.3684 0.3684
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0959 0.0959
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0855 0.0918
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.1798 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.1444 0.1551
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1634 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.747 0.747
Echinococcus multilocularis lamin 0.003 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0014 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0029 0.0677 0.0677
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0061 0.0066
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0061 0.0061
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0061 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0061 0.0061
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0407 0.0407
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0061 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0061 0.0061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1444 0.1444
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3457 0.3457
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Onchocerca volvulus 0.0025 0.0542 0.0567
Schistosoma mansoni alpha glucosidase 0.0038 0.0959 0.103
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0643 0.2393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0061 0.0061
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0643 0.2779
Schistosoma mansoni hypothetical protein 0.0013 0.0144 0.0155
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1634 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0061 0.0061
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0694 0.0694
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0061 0.0061
Echinococcus granulosus muscleblind protein 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0025 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0061 0.0061
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0061 0.0061
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0332 0.0332
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0341 0.5
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0643 0.0643
Schistosoma mansoni alpha-glucosidase 0.0148 0.4449 0.4777
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0061 0.0061
Brugia malayi RNA, U transporter 1 0.008 0.2295 0.2295
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0959 0.0912
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0542 0.2147
Loa Loa (eye worm) hypothetical protein 0.0014 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0019 0.0341 0.0341
Schistosoma mansoni intermediate filament proteins 0.003 0.0694 0.0745
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0332 0.0332
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0407 0.13
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0542 0.2147
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.1798 0.1798
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0061 0.0061
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.3684 0.3684
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0332 0.5
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0474 0.172
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1634 0.8972
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0144 0.0144
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0814 0.0814
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.3684 0.3684
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0542 0.2147
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0061 0.0061
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0407 0.0407
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0019 0.0341 0.0341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.1444 0.1444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0061 0.0061
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0542 0.1616
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0959 0.0912

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 3 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment ChEMBL. 21644541
Activity (functional) = 4 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 3 mg/kg, po administered as single dose for 4 days measured 24 hrs after last treatment (Rvb = 6.5 days ) ChEMBL. 21644541
Activity (functional) = 7 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 6 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment (Rvb = 6.5 days ) ChEMBL. 21644541
Activity (functional) = 12.7 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 50 mg/kg, po administered as single dose (Rvb = 5 days ) ChEMBL. 21644541
Activity (functional) = 13.3 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 25 mg/kg, po administered as single dose (Rvb = 5 days ) ChEMBL. 21644541
Activity (functional) = 14 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 12.5 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment (Rvb = 6.5 days ) ChEMBL. 21644541
Activity (functional) = 14 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 50 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment (Rvb = 6.5 days ) ChEMBL. 21644541
Activity (functional) = 14.3 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as increase in median survival time at 25 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment (Rvb = 6.5 days ) ChEMBL. 21644541
Activity (functional) = 23.51 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 25 mg/kg, po administered as single dose measured on day 2 by FACS analysis ChEMBL. 21644541
Activity (functional) = 30.78 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 50 mg/kg, po administered as single dose measured on day 2 by FACS analysis ChEMBL. 21644541
Activity (functional) = 38.35 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 6 mg/kg, po administered as single dose for 4 days measured 24 hrs after last treatment ChEMBL. 21644541
Activity (functional) = 50.24 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 50 mg/kg, po administered as single dose measured on day 3 by FACS analysis ChEMBL. 21644541
Activity (functional) = 55.45 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 25 mg/kg, po administered as single dose measured on day 3 by FACS analysis ChEMBL. 21644541
Activity (functional) = 62.25 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 25 mg/kg, po administered as single dose measured on day 4 by FACS analysis ChEMBL. 21644541
Activity (functional) = 68.92 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 25 mg/kg, po administered as single dose measured on day 5 by FACS analysis ChEMBL. 21644541
Activity (functional) = 71.22 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 50 mg/kg, po administered as single dose measured on day 4 by FACS analysis ChEMBL. 21644541
Activity (functional) = 79.79 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 50 mg/kg, po administered as single dose measured on day 5 by FACS analysis ChEMBL. 21644541
Activity (functional) = 80.73 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 12.5 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment ChEMBL. 21644541
Activity (functional) = 95.56 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 50 mg/kg, po administered as multiple dose for 4 days measured 24 hrs after last treatment ChEMBL. 21644541
Activity (functional) = 95.72 % Antimalarial activity against GFP-transfected Plasmodium berghei strain ANKA infected in NMRI mouse assessed as reduction in parasitemia at 25 mg/kg, po administered as single dose for 4 days measured 24 hrs after last treatment ChEMBL. 21644541
CL (ADMET) = 5.4 uL/min/mg Metabolic stability in mouse liver microsomes assessed as intrinsic clearance per mg protein after 60 mins by LC-MS analysis ChEMBL. 21644541
PPB (ADMET) = 95.3 % Plasma protein binding in mouse assessed as 1-(2-Ethylaminoethylamino)-3-[4-(trifluoromethyl)phenyl]-pyrido[1,2-a]benzimidazole-4-carbonitrile at 5 mg/kg, iv after 48 hrs by LC-MS analysis ChEMBL. 21644541
PPB (ADMET) = 98.3 % Plasma protein binding in human assessed as 1-(2-Ethylaminoethylamino)-3-[4-(trifluoromethyl)phenyl]-pyrido[1,2-a]benzimidazole-4-carbonitrile at 5 mg/kg, iv after 48 hrs by LC-MS analysis ChEMBL. 21644541
T1/2 (ADMET) = 321.2 min Metabolic stability in mouse liver microsomes assessed as degradation half life after 60 mins by LC-MS analysis ChEMBL. 21644541

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

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