Detailed information for compound 27856

Basic information

Technical information
  • TDR Targets ID: 27856
  • Name: octahydro-9-hydroxyethyl-1-methoxy-3,4,4-trim ethyl-1H-3,9a-peroxy-2-benzoxepin
  • MW: 300.391 | Formula: C16H28O5
  • H donors: 1 H acceptors: 1 LogP: 2.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC[C@@H]1CCC[C@H]2[C@]31OO[C@@](O[C@@H]3OC)(C(C2)(C)C)C
  • InChi: 1S/C16H28O5/c1-14(2)10-12-7-5-6-11(8-9-17)16(12)13(18-4)19-15(14,3)20-21-16/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-,15+,16-/m0/s1
  • InChiKey: BCUBFQJBIVOSFG-ABNPOPBRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid hormone receptor ad4bp 0.0323186 0.0305705 0.0339575
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0280931 0.0237068 0.0263334
Trichomonas vaginalis alpha-glucosidase, putative 0.15133 0.223887 0.537069
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0664275 0.0859754 0.143177
Loa Loa (eye worm) matrixin family protein 0.0462853 0.0532574 0.0532574
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.15133 0.223887 0.537069
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0664275 0.0859754 0.265074
Brugia malayi hypothetical protein 0.0170734 0.00580684 0.00580684
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0170734 0.00580684 0.0064502
Brugia malayi Nuclear hormone receptor E75 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Leishmania major glycosyl hydrolase-like protein 0.0664275 0.0859754 0.265074
Loa Loa (eye worm) hypothetical protein 0.0170734 0.00580684 0.00580684
Trichomonas vaginalis glycoside hydrolase, putative 0.112223 0.160364 0.384687
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0280931 0.0237068 0.0233947
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.208509 0.316767 0.316549
Schistosoma mansoni beta-mannosidase 0.0158205 0.00377164 0.00418951
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0323186 0.0305705 0.0302605
Echinococcus multilocularis FTZ F1 alpha 0.0323186 0.0305705 0.0302605
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0280931 0.0237068 0.0263334
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0308811 0.0282355 0.0282355
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.15133 0.223887 0.500836
Brugia malayi Steroid receptor seven-up type 2 0.0323186 0.0305705 0.0305705
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis thyroid hormone receptor alpha 0.0323186 0.0305705 0.0302605
Schistosoma mansoni alpha glucosidase 0.15133 0.223887 0.248692
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.629127 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0964952 0.134816 0.149753
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152452 0.00283712 0.00251833
Brugia malayi Hemopexin family protein 0.0295897 0.0261378 0.0261378
Echinococcus multilocularis lysosomal alpha glucosidase 0.629127 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.15133 0.223887 0.223887
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0323186 0.0305705 0.0302605
Schistosoma mansoni nuclear receptor 0.0152452 0.00283712 0.00315146
Trypanosoma brucei Polypeptide deformylase 1 0.104612 0.148 0.595603
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0323186 0.0305705 0.0305705
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Echinococcus granulosus adam 17 protease 0.0351711 0.0352039 0.0348955
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0401168 0.0432376 0.10372
Trichomonas vaginalis alpha-glucosidase, putative 0.0664275 0.0859754 0.206241
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0664275 0.0859754 0.206241
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0280931 0.0237068 0.0263334
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0323186 0.0305705 0.0302605
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis neutral alpha glucosidase AB 0.15133 0.223887 0.223639
Brugia malayi Nuclear hormone receptor-like 1 0.0170734 0.00580684 0.00580684
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0152452 0.00283712 0.00251833
Brugia malayi hypothetical protein 0.0152452 0.00283712 0.00283712
Onchocerca volvulus Matrilysin homolog 0.0462853 0.0532574 0.0868317
Loa Loa (eye worm) hypothetical protein 0.0208685 0.0119715 0.0119715
Chlamydia trachomatis peptide deformylase 0.274155 0.423399 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0323186 0.0305705 0.0477612
Loa Loa (eye worm) nuclear receptor NHR-67 0.0152452 0.00283712 0.00283712
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0323186 0.0305705 0.0302605
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0323186 0.0305705 0.0305705
Onchocerca volvulus Matrilysin homolog 0.0208685 0.0119715 0.0157307
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0170734 0.00580684 0.005489
Schistosoma mansoni nuclear hormone receptor 0.0152452 0.00283712 0.00315146
Echinococcus granulosus ecdysone induced protein 78C 0.0323186 0.0305705 0.0302605
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0214758 0.0129579 0.0126423
Loa Loa (eye worm) hypothetical protein 0.090091 0.124413 0.124413
Trypanosoma brucei Peptide deformylase 2 0.104612 0.148 0.595603
Brugia malayi nuclear hormone receptor 0.0323186 0.0305705 0.0305705
Brugia malayi Matrixin family protein 0.0504582 0.0600357 0.0600357
Brugia malayi nuclear receptor RXR 0.0170734 0.00580684 0.00580684
Schistosoma mansoni coup transcription factor 0.0323186 0.0305705 0.0339575
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Schistosoma mansoni retinoic acid receptor RXR 0.0323186 0.0305705 0.0339575
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0323186 0.0305705 0.0305705
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0323186 0.0305705 0.0305705
Brugia malayi nuclear receptor NHR-67 0.0152452 0.00283712 0.00283712
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.274155 0.423399 0.5
Echinococcus granulosus FTZ F1 alpha 0.0323186 0.0305705 0.0302605
Schistosoma mansoni nuclear hormone receptor 0.0152452 0.00283712 0.00315146
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0313592 0.029012 0.0322263
Brugia malayi steroid hormone receptor 0.22713 0.347014 0.347014
Loa Loa (eye worm) hypothetical protein 0.0170734 0.00580684 0.00580684
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0964952 0.134816 0.13454
Brugia malayi Beta-glucuronidase precursor 0.0221626 0.0140735 0.0140735
Loa Loa (eye worm) hypothetical protein 0.0169055 0.00553402 0.00553402
Echinococcus granulosus thyroid hormone receptor alpha 0.210056 0.31928 0.319063
Leishmania major developmentally regulated phosphoprotein-like protein 0.0964952 0.134816 0.525345
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0170734 0.00580684 0.0064502
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis set domain proteins, putative 0.147193 0.217167 0.520949
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.23883 0.366019 0.625456
Brugia malayi Nuclear hormone receptor-like 1 0.0170734 0.00580684 0.00580684
Trypanosoma brucei developmentally regulated phosphoprotein 0.0964952 0.134816 0.525345
Onchocerca volvulus 0.0208685 0.0119715 0.0157307
Echinococcus multilocularis non lysosomal glucosylceramidase 0.14914 0.22033 0.22008
Mycobacterium ulcerans peptide deformylase 0.274155 0.423399 1
Loa Loa (eye worm) hypothetical protein 0.0308811 0.0282355 0.0282355
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0176597 0.00675913 0.00675913
Brugia malayi orphan nuclear receptor NR2E1 0.0152452 0.00283712 0.00283712
Trypanosoma cruzi hypothetical protein, conserved 0.15133 0.223887 1
Schistosoma mansoni thyroid hormone receptor 0.0323186 0.0305705 0.0339575
Brugia malayi Pre-SET motif family protein 0.138966 0.203803 0.203803
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0308811 0.0282355 0.0677325
Echinococcus granulosus non lysosomal glucosylceramidase 0.14914 0.22033 0.22008
Loa Loa (eye worm) hypothetical protein 0.0170734 0.00580684 0.00580684
Brugia malayi nuclear hormone receptor family member odr-7 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0308811 0.0282355 0.0677325
Schistosoma mansoni zinc finger protein 0.0152452 0.00283712 0.00315146
Loa Loa (eye worm) DR-78 0.0152452 0.00283712 0.00283712
Brugia malayi Glycosyl hydrolases family 31 protein 0.629127 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.15133 0.223887 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0323186 0.0305705 0.0305705
Echinococcus granulosus nuclear receptor nhr 48 0.0152452 0.00283712 0.00251833
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0323186 0.0305705 0.0302605
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0323186 0.0305705 0.0305705
Onchocerca volvulus Glucosylceramidase homolog 0.156217 0.231826 0.394354
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0323186 0.0305705 0.0302605
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0323186 0.0305705 0.0302605
Trichomonas vaginalis sucrase-isomaltase, putative 0.127832 0.185718 0.445508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0323186 0.0305705 0.0305705
Loa Loa (eye worm) hypothetical protein 0.0170734 0.00580684 0.00580684
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0323186 0.0305705 0.0305705
Brugia malayi kinase, mitochondrial precursor 0.0964952 0.134816 0.134816
Trichomonas vaginalis beta-mannosidase, putative 0.0158205 0.00377164 0.00904756
Brugia malayi nuclear receptor NHR-88 0.0323186 0.0305705 0.0305705
Onchocerca volvulus 0.147193 0.217167 0.36911
Brugia malayi Glycosyl hydrolases family 31 protein 0.0664275 0.0859754 0.0859754
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0136953 0.000319596 0.000319596
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Trypanosoma brucei glycosyl hydrolase-like protein 0.0664275 0.0859754 0.265074
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0409954 0.0446647 0.052435
Onchocerca volvulus 0.0323186 0.0305705 0.0477612
Loa Loa (eye worm) steroid hormone receptor 0.22713 0.347014 0.347014
Trichomonas vaginalis alpha-glucosidase, putative 0.15133 0.223887 0.537069
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0323186 0.0305705 0.0305705
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0280931 0.0237068 0.0233947
Echinococcus multilocularis glycogen debranching enzyme 0.0308811 0.0282355 0.0279248
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0152452 0.00283712 0.00283712
Loa Loa (eye worm) hypothetical protein 0.0466167 0.0537957 0.0537957
Toxoplasma gondii hypothetical protein 0.274155 0.423399 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0323186 0.0305705 0.0302605
Schistosoma mansoni hypothetical protein 0.0223061 0.0143066 0.0158917
Echinococcus granulosus bile acid beta glucosidase 0.14914 0.22033 0.22008
Brugia malayi Matrixin family protein 0.0208685 0.0119715 0.0119715
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0176597 0.00675913 0.00675913
Brugia malayi photoreceptor-specific nuclear receptor 0.0323186 0.0305705 0.0305705
Schistosoma mansoni thyroid hormone receptor 0.0323186 0.0305705 0.0339575
Brugia malayi Matrixin family protein 0.0208685 0.0119715 0.0119715
Schistosoma mansoni ceramide glucosyltransferase 0.23883 0.366019 0.406571
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0308811 0.0282355 0.0113305
Trypanosoma cruzi Peptide deformylase 2, putative 0.104612 0.148 0.595603
Brugia malayi ecdysteroid receptor 0.0466167 0.0537957 0.0537957
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0323186 0.0305705 0.0305705
Brugia malayi Glycosyl hydrolases family 31 protein 0.15133 0.223887 0.223887
Giardia lamblia Ceramide glucosyltransferase 0.108677 0.154604 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.104612 0.148 0.595603
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0323186 0.0305705 0.0305705
Schistosoma mansoni ceramide glucosyltransferase 0.23883 0.366019 0.406571
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.270134 0.416868 0.416868
Leishmania major alpha glucosidase II subunit, putative 0.15133 0.223887 1
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0208685 0.0119715 0.0132978
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0323186 0.0305705 0.0305705
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0964952 0.134816 0.13454
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0150669 0.00254751 0.00254751
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.15133 0.223887 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0323186 0.0305705 0.0305705
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0323186 0.0305705 0.0305705
Echinococcus granulosus lysosomal alpha glucosidase 0.629127 1 1
Treponema pallidum polypeptide deformylase (def) 0.274155 0.423399 0.5
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0358048 0.0362332 0.0313402
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152452 0.00283712 0.00251833
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0152452 0.00283712 0.00315146
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0280931 0.0237068 0.0263334
Echinococcus multilocularis ecdysone induced protein 78C 0.0323186 0.0305705 0.0302605
Schistosoma mansoni nuclear hormone receptor 0.0323186 0.0305705 0.0339575
Echinococcus multilocularis lysosomal alpha glucosidase 0.629127 1 1
Mycobacterium ulcerans alpha-L-fucosidase 0.208509 0.316767 0.736085
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Trichomonas vaginalis glucosylceramidase, putative 0.196973 0.298028 0.714921
Onchocerca volvulus 0.0295897 0.0261378 0.0401274
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Brugia malayi Matrixin family protein 0.0208685 0.0119715 0.0119715
Brugia malayi manba-prov protein 0.0221626 0.0140735 0.0140735
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Schistosoma mansoni hypothetical protein 0.0295897 0.0261378 0.0290336
Onchocerca volvulus Bile acid receptor homolog 0.0466167 0.0537957 0.0877587
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Schistosoma mansoni nuclear receptor 0.0152452 0.00283712 0.00315146
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.270134 0.416868 0.416868
Brugia malayi Ceramide glucosyltransferase 0.23883 0.366019 0.366019
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.075875 0.101322 0.101034
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0323186 0.0305705 0.0339575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.138966 0.203803 0.203803
Plasmodium vivax peptide deformylase, putative 0.274155 0.423399 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0323186 0.0305705 0.0305705
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.017263 0.0061147 0.00679217
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.104612 0.148 0.595603
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0152452 0.00283712 0.00251833
Loa Loa (eye worm) hypothetical protein 0.0964952 0.134816 0.134816
Trypanosoma cruzi Peptide deformylase 2, putative 0.104612 0.148 0.595603
Brugia malayi nuclear hormone receptor 0.0152452 0.00283712 0.00283712
Schistosoma mansoni pyruvate dehydrogenase 0.0913046 0.126385 0.140387
Loa Loa (eye worm) hypothetical protein 0.0664275 0.0859754 0.0859754
Schistosoma mansoni alpha-glucosidase 0.567722 0.900257 1
Loa Loa (eye worm) hypothetical protein 0.0170734 0.00580684 0.00580684
Brugia malayi hypothetical protein 0.0170734 0.00580684 0.00580684
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0152452 0.00283712 0.00315146
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0323186 0.0305705 0.0305705
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0170734 0.00580684 0.005489
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0323186 0.0305705 0.0302605
Trypanosoma brucei glucosidase, putative 0.15133 0.223887 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0664275 0.0859754 0.295116
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0214758 0.0129579 0.0126423
Onchocerca volvulus Matrix metalloproteinase homolog 0.0462853 0.0532574 0.0868317
Trichomonas vaginalis maltase-glucoamylase, putative 0.0664275 0.0859754 0.206241
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0254168 0.0193595 0.0193595
Trichomonas vaginalis glucosylceramidase, putative 0.156217 0.231826 0.556113
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0152452 0.00283712 0.00251833
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0170734 0.00580684 0.00580684
Brugia malayi conserved hypotetical protein 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0280931 0.0237068 0.0233947
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Trichomonas vaginalis conserved hypothetical protein 0.0556428 0.0684573 0.164218
Echinococcus multilocularis bile acid beta glucosidase 0.14914 0.22033 0.22008
Loa Loa (eye worm) nuclear hormone receptor 0.0152452 0.00283712 0.00283712
Loa Loa (eye worm) hypothetical protein 0.0208685 0.0119715 0.0119715
Schistosoma mansoni hypothetical protein 0.0402301 0.0434215 0.0482324
Schistosoma mansoni pyruvate dehydrogenase 0.0913046 0.126385 0.140387
Trichomonas vaginalis alpha-glucosidase, putative 0.0664275 0.0859754 0.206241
Loa Loa (eye worm) alpha-L-fucosidase 0.0998308 0.140234 0.140234
Schistosoma mansoni bile acid beta-glucosidase-related 0.14914 0.22033 0.244741
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0323186 0.0305705 0.0305705
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0323186 0.0305705 0.0339575
Plasmodium falciparum peptide deformylase 0.274155 0.423399 0.5
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Loa Loa (eye worm) matrixin family protein 0.0504582 0.0600357 0.0600357
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.274155 0.423399 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0664275 0.0859754 0.206241
Echinococcus granulosus neutral alpha glucosidase AB 0.15133 0.223887 0.223639
Trichomonas vaginalis maltase-glucoamylase, putative 0.15133 0.223887 0.537069
Schistosoma mansoni hypothetical protein 0.07424 0.0986657 0.109597
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0323186 0.0305705 0.0302605
Loa Loa (eye worm) matrix metalloproteinase 0.0208685 0.0119715 0.0119715
Trichomonas vaginalis alpha-glucosidase, putative 0.15133 0.223887 0.537069
Onchocerca volvulus 0.37272 0.583504 1
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Trichomonas vaginalis alpha-glucosidase, putative 0.0664275 0.0859754 0.206241
Schistosoma mansoni RAR-like nuclear receptor 0.0323186 0.0305705 0.0339575
Echinococcus granulosus fucosidase alpha L 1 tissue 0.208509 0.316767 0.316549
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.127832 0.185718 0.804914
Trichomonas vaginalis alpha-glucosidase, putative 0.0664275 0.0859754 0.206241
Trichomonas vaginalis alpha-glucosidase, putative 0.15133 0.223887 0.537069
Loa Loa (eye worm) hypothetical protein 0.100575 0.141444 0.141444
Trichomonas vaginalis beta-galactosidase, putative 0.0556428 0.0684573 0.164218
Trichomonas vaginalis alpha-glucosidase, putative 0.15133 0.223887 0.537069
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0152452 0.00283712 0.00283712
Brugia malayi nuclear receptor RXR 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0152452 0.00283712 0.00251833
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0323186 0.0305705 0.0477612
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0664275 0.0859754 0.265074
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.274155 0.423399 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0152452 0.00283712 0.00251833
Brugia malayi ecdysone receptor 0.0152452 0.00283712 0.00283712
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0152452 0.00283712 0.00251833
Echinococcus multilocularis ceramide glucosyltransferase 0.23883 0.366019 0.365816
Schistosoma mansoni bile acid beta-glucosidase-related 0.14914 0.22033 0.244741
Loa Loa (eye worm) hypothetical protein 0.0254168 0.0193595 0.0193595
Brugia malayi hypothetical protein 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0964952 0.134816 0.13454
Brugia malayi nuclear hormone receptor family member nhr-6 0.0152452 0.00283712 0.00283712
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0323186 0.0305705 0.0305705
Schistosoma mansoni alpha-glucosidase 0.567722 0.900257 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0323186 0.0305705 0.0339575
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.15133 0.223887 0.537069
Brugia malayi tailless protein 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0323186 0.0305705 0.0302605
Echinococcus granulosus Nuclear hormone receptor HR96 0.0152452 0.00283712 0.00251833
Schistosoma mansoni alpha-l-fucosidase 0.0998308 0.140234 0.155771
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0323186 0.0305705 0.0339575
Brugia malayi nuclear receptor NHR-88 0.0152452 0.00283712 0.00283712
Loa Loa (eye worm) hypothetical protein 0.0323186 0.0305705 0.0305705
Echinococcus granulosus glycogen debranching enzyme 0.0308811 0.0282355 0.0279248
Trichomonas vaginalis conserved hypothetical protein 0.0158143 0.00376149 0.00902323
Brugia malayi Nuclear hormone receptor E75 0.0152452 0.00283712 0.00283712
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0152452 0.00283712 0.00251833
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0401168 0.0432376 0.10372
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0323186 0.0305705 0.0339575
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0323186 0.0305705 0.0305705
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0323186 0.0305705 0.0302605
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.075875 0.101322 0.101034
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0323186 0.0305705 0.0305705
Brugia malayi Nuclear hormone receptor-like 1 0.0323186 0.0305705 0.0305705
Trichomonas vaginalis glucosylceramidase, putative 0.196973 0.298028 0.714921
Trichomonas vaginalis alpha-glucosidase, putative 0.0664275 0.0859754 0.206241
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0323186 0.0305705 0.0302605
Trichomonas vaginalis glucosylceramidase, putative 0.270134 0.416868 1
Leishmania major polypeptide deformylase-like protein, putative 0.104612 0.148 0.595603
Echinococcus granulosus ceramide glucosyltransferase 0.23883 0.366019 0.365816
Brugia malayi Alpha-L-fucosidase family protein 0.0998308 0.140234 0.140234
Schistosoma mansoni nuclear receptor nhr-48 0.0152452 0.00283712 0.00315146
Loa Loa (eye worm) ceramide glucosyltransferase 0.23883 0.366019 0.366019
Brugia malayi Matrixin family protein 0.0208685 0.0119715 0.0119715
Loa Loa (eye worm) beta-glucuronidase 0.0221626 0.0140735 0.0140735
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0136953 0.000319596 0.000355006
Echinococcus multilocularis adam 17 protease 0.0313592 0.029012 0.0287015
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0964952 0.134816 0.525345
Entamoeba histolytica beta-galactosidase, putative 0.0334802 0.0324573 0.021578
Loa Loa (eye worm) hypothetical protein 0.0152452 0.00283712 0.00283712
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0323186 0.0305705 0.0339575
Loa Loa (eye worm) hypothetical protein 0.0208685 0.0119715 0.0119715

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 500 ng ml-1 In vitro antimalarial activity against W-2 Indochina clone of Plasmodium falciparum ChEMBL. 8176702
IC50 (functional) > 500 ng ml-1 In vitro antimalarial activity against D-6 African clone of Plasmodium falciparum ChEMBL. 8176702
IC50 (functional) > 500 ng ml-1 In vitro antimalarial activity against W-2 Indochina clone of Plasmodium falciparum ChEMBL. 8176702
IC50 (functional) > 500 ng ml-1 In vitro antimalarial activity against D-6 African clone of Plasmodium falciparum ChEMBL. 8176702
Log RA (functional) = -1.8 Antimalarial activity of the compound was determined against chloroquine-resistant, mefloquine-sensitive Plasmodium falciparum W-2 clone ChEMBL. 11784134

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 8176702

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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