Detailed information for compound 143639

Basic information

Technical information
  • TDR Targets ID: 143639
  • Name: (2S,9R,12E,15S)-9-[(3-chloro-4-hydroxyphenyl) methyl]-5,5-dimethyl-2-(2-methylpropyl)-15-[( E,2R)-4-phenylbut-3-en-2-yl]-3,16-dioxa-7,10- diazacyclohexadec-12-ene-1,4,8,11-tetrone
  • MW: 639.178 | Formula: C35H43ClN2O7
  • H donors: 3 H acceptors: 5 LogP: 7.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC1=O)[C@@H](/C=C/c1ccccc1)C)Cc1ccc(c(c1)Cl)O)C
  • InChi: 1S/C35H43ClN2O7/c1-22(2)18-30-33(42)44-29(23(3)14-15-24-10-7-6-8-11-24)12-9-13-31(40)38-27(20-25-16-17-28(39)26(36)19-25)32(41)37-21-35(4,5)34(43)45-30/h6-11,13-17,19,22-23,27,29-30,39H,12,18,20-21H2,1-5H3,(H,37,41)(H,38,40)/b13-9+,15-14+/t23-,27-,29+,30+/m1/s1
  • InChiKey: CEQSRRDKTKNWOJ-KGEMCQPZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,9R,12E,15S)-9-[(3-chloro-4-hydroxy-phenyl)methyl]-2-isobutyl-5,5-dimethyl-15-[(E,1R)-1-methyl-3-phenyl-allyl]-3,16-dioxa-7,10-diazacyclohexadec-12-ene-1,4,8,11-tetrone
  • (2S,9R,12E,15S)-9-[(3-chloro-4-hydroxyphenyl)methyl]-2-isobutyl-5,5-dimethyl-15-[(E,1R)-1-methyl-3-phenylallyl]-3,16-dioxa-7,10-diazacyclohexadec-12-ene-1,4,8,11-tetrone
  • (2S,9R,12E,15S)-9-[(3-chloro-4-hydroxy-phenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)-15-[(E,2R)-4-phenylbut-3-en-2-yl]-3,16-dioxa-7,10-diazacyclohexadec-12-ene-1,4,8,11-tetrone
  • (2S,9R,12E,15S)-9-(3-chloro-4-hydroxy-benzyl)-2-isobutyl-5,5-dimethyl-15-[(E,1R)-1-methyl-3-phenyl-allyl]-3,16-dioxa-7,10-diazacyclohexadec-12-ene-1,4,8,11-diquinone
  • (3S,10R,13E,16S)-10-[(3-chloro-4-hydroxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3S,10R,13E,16S)-10-[(3-chloro-4-hydroxy-phenyl)methyl]-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-prop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3S,10R,13E,16S)-10-[(3-chloro-4-hydroxyphenyl)methyl]-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenylprop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3S,10R,13E,16S)-10-(3-chloro-4-hydroxy-benzyl)-3-isobutyl-6,6-dimethyl-16-[(E,1R)-1-methyl-3-phenyl-prop-2-enyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
  • (3S,10R,13E,16S)-10-[(3-chloro-4-hydroxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

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
Echinococcus granulosus Peroxiredoxin 2 0.0089 0.0228 0.6327
Brugia malayi hypothetical protein 0.0025 0.0016 0.0403
Loa Loa (eye worm) hypothetical protein 0.002 0.0002 0.0056
Echinococcus multilocularis Peroxiredoxin 2 0.0089 0.0228 0.6327
Schistosoma mansoni metabotropic glutamate receptor 0.0025 0.0016 0.0041
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.0006 0.0029
Loa Loa (eye worm) hypothetical protein 0.0067 0.0157 0.4394
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0005 0.0143
Brugia malayi Guanylyl cyclase protein 23 0.0025 0.0016 0.0403
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0006 0.0029
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.1941
Brugia malayi hypothetical protein 0.003 0.0033 0.0884
Entamoeba histolytica peroxiredoxin, putative 0.003 0.0033 0.0683
Brugia malayi Metabotropic glutamate receptor precursor. 0.0067 0.0157 0.4362
Echinococcus multilocularis GPCR, family 3, C terminal 0.0043 0.0076 0.1999
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0025 0.0016 0.0318
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0101 0.0267 0.7468
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0067 0.0157 0.4394
Plasmodium vivax thioredoxin peroxidase 1, putative 0.0089 0.0228 0.8507
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Trichomonas vaginalis peroxiredoxin, putative 0.0059 0.0129 0.4748
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0101 0.0267 1
Echinococcus granulosus tyrosine kinase 0.0025 0.0016 0.0318
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0023 0.001 0.0278
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0043 0.0076 0.2069
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Onchocerca volvulus 0.0022 0.0006 0.0146
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0089 0.0228 0.8514
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.1941
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0017 0.0042
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0101 0.0267 0.7454
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Schistosoma mansoni tyrosine kinase 0.0025 0.0016 0.0041
Loa Loa (eye worm) pigment dispersing factor receptor c 0.002 0.0002 0.0056
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0005 0.0087
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0025 0.0016 0.0318
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0005 0.0087
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0128 0.0357 1
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Plasmodium vivax thioredoxin peroxidase 2, putative 0.0089 0.0228 0.8507
Wolbachia endosymbiont of Brugia malayi peroxiredoxin 0.0089 0.0228 1
Schistosoma mansoni polycystin 1-related 0.0022 0.0006 0.0004
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.1941
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0005 0.0143
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0172
Schistosoma mansoni loxhd1 0.0022 0.0006 0.0004
Onchocerca volvulus Poor gastrulation protein homolog 0.0043 0.0076 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Mycobacterium leprae ALKYL HYDROPEROXIDE REDUCTASE C PROTEIN AHPC (ALKYL HYDROPEROXIDASE C) 0.0089 0.0228 0.0195
Leishmania major peroxidoxin 0.0089 0.0228 0.8447
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0067 0.0157 0.4394
Trypanosoma cruzi tryparedoxin peroxidase 0.0089 0.0228 0.8447
Brugia malayi Thioredoxin peroxidase 1 0.0089 0.0228 0.6359
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.305 1 1
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0101 0.0267 1
Schistosoma mansoni peroxiredoxins prx-1 prx-2 prx-3 0.003 0.0033 0.0102
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0101 0.0267 1
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0089 0.0228 0.8514
Mycobacterium ulcerans alkyl hydroperoxide reductase C protein AhpC 0.0089 0.0228 0.0195
Schistosoma mansoni hypothetical protein 0.0039 0.0065 0.0216
Echinococcus multilocularis thioredoxin peroxidase 0.0089 0.0228 0.6327
Brugia malayi AhpC/TSA family protein 0.0089 0.0228 0.6359
Trypanosoma cruzi tryparedoxin peroxidase, putative 0.0089 0.0228 0.8447
Schistosoma mansoni thyroid hormone receptor 0.0099 0.0262 0.0927
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0025 0.0016 0.0318
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0025 0.0016 0.0403
Schistosoma mansoni tyrosine kinase 0.0025 0.0016 0.0041
Echinococcus granulosus thioredoxin dependent peroxide reductase 0.0089 0.0228 0.6327
Echinococcus multilocularis tyrosine kinase 0.0025 0.0016 0.0318
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0065 0.1699
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0006 0.0029
Brugia malayi hypothetical protein 0.0022 0.0006 0.0116
Mycobacterium tuberculosis Alkyl hydroperoxide reductase C protein AhpC (alkyl hydroperoxidase C) 0.0089 0.0228 0.0195
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0078 0.0191 0.5282
Schistosoma mansoni peroxiredoxins prx-1 prx-2 prx-3 0.0089 0.0228 0.0805
Schistosoma mansoni hypothetical protein 0.0078 0.0191 0.0672
Brugia malayi nuclear hormone receptor 0.0021 0.0005 0.0087
Giardia lamblia Peroxiredoxin 1 0.0089 0.0228 0.8333
Echinococcus multilocularis glutamate receptor 2 0.0025 0.0016 0.0318
Echinococcus granulosus thioredoxin peroxidase 0.0089 0.0228 0.6327
Mycobacterium ulcerans peroxiredoxin AhpE 0.0089 0.0228 0.0195
Schistosoma mansoni thioredoxin peroxidase 0.0089 0.0228 0.0805
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0101 0.0267 1
Brugia malayi thioredoxin peroxidase, identical 0.0089 0.0228 0.6359
Loa Loa (eye worm) hypothetical protein 0.0043 0.0076 0.2113
Mycobacterium ulcerans alkyl hydroperoxide reductase C protein AhpC 0.0089 0.0228 0.0195
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0025 0.0016 0.0457
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0065 0.1699
Echinococcus granulosus nmda type glutamate receptor 0.0025 0.0016 0.0318
Schistosoma mansoni thioredoxin peroxidase 0.0089 0.0228 0.0805
Schistosoma mansoni metabotropic glutamate receptor 0.086 0.2772 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0006 0.0172
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 0.0101 0.0267 0.0234
Echinococcus multilocularis glutamate receptor 2 0.0025 0.0016 0.0318
Loa Loa (eye worm) thioredoxin peroxidase 1 0.0089 0.0228 0.6379
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0005 0.0143
Chlamydia trachomatis thio-specific antioxidant peroxidase 0.0089 0.0228 0.5
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0089 0.0228 0.8514
Schistosoma mansoni rab6-interacting 0.0022 0.0006 0.0004
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0005 0.0143
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0006 0.0172
Brugia malayi hypothetical protein 0.0039 0.0065 0.1772
Echinococcus granulosus receptor type guanylyl cyclase 0.0025 0.0016 0.0318
Trypanosoma cruzi tryparedoxin peroxidase, putative 0.0089 0.0228 0.8447
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0005 0.0087
Echinococcus granulosus metabotropic glutamate receptor 5 0.0128 0.0357 1
Plasmodium falciparum thioredoxin peroxidase 2 0.0089 0.0228 0.8507
Schistosoma mansoni rab6-interacting 0.0022 0.0006 0.0004
Brugia malayi ecdysteroid receptor 0.0021 0.0005 0.0087
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0025 0.0016 0.0318
Schistosoma mansoni protein kinase 0.0025 0.0016 0.0041
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Echinococcus multilocularis thyroid hormone receptor alpha 0.0099 0.0262 0.7278
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0101 0.0267 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0025 0.0016 0.0318
Toxoplasma gondii alkyl hydroperoxide reductase/ Thiol specific antioxidant/ Mal allergen, putative 0.0089 0.0228 0.8333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0005 0.0143
Echinococcus multilocularis thioredoxin dependent peroxide reductase 0.0089 0.0228 0.6327
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0103 0.0276 0.0978
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Plasmodium vivax 1-cys peroxiredoxin 0.0089 0.0228 0.8507
Echinococcus granulosus metabotropic glutamate receptor 2 0.0025 0.0016 0.0318
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0025 0.0016 0.0318
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0017 0.0042
Brugia malayi Doublecortin family protein 0.0022 0.0006 0.0116
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0101 0.0267 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0061 0.0135 0.3674
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0006 0.0029
Mycobacterium tuberculosis Conserved hypothetical protein 0.0101 0.0267 0.0234
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0061 0.0135 0.3674
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0043 0.0076 0.2069
Echinococcus multilocularis RUN 0.0022 0.0006 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0005 0.0087
Schistosoma mansoni hypothetical protein 0.0022 0.0006 0.0004
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0101 0.0267 0.7431
Loa Loa (eye worm) glutamate receptor 0.0067 0.0157 0.4394
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0005 0.0087
Plasmodium falciparum peroxiredoxin 0.003 0.0033 0.1047
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0089 0.0228 0.8514
Echinococcus granulosus RUN 0.0022 0.0006 0.0029
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Schistosoma mansoni hypothetical protein 0.0043 0.0076 0.0254
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0025 0.0016 0.0318
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0005 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0005 0.0087
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0101 0.0267 1
Plasmodium vivax merozoite capping protein 1, putative 0.003 0.0033 0.1047
Brugia malayi Receptor family ligand binding region containing protein 0.0067 0.0157 0.4362
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0043 0.0076 1
Loa Loa (eye worm) thioredoxin peroxidase 0.0089 0.0228 0.6379
Brugia malayi metabotropic glutamate receptor type 2 0.0128 0.0357 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0005 0.0087
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Loa Loa (eye worm) hypothetical protein 0.0128 0.0357 1
Schistosoma mansoni thioredoxin peroxidase 3 0.0089 0.0228 0.0805
Entamoeba histolytica hypothetical protein 0.0039 0.0065 0.1941
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0101 0.0267 0.7431
Onchocerca volvulus 0.0022 0.0006 0.0146
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.001 0.0137
Entamoeba histolytica 1-Cys peroxiredoxin, putative 0.003 0.0033 0.0683
Entamoeba histolytica peroxiredoxin, putative 0.003 0.0033 0.0683
Schistosoma mansoni thioredoxin peroxidase 0.003 0.0033 0.0102
Trypanosoma cruzi tryparedoxin peroxidase, putative 0.0089 0.0228 0.8447
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0005 0.0087
Onchocerca volvulus 0.0025 0.0016 0.1592
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.305 1 1
Trichomonas vaginalis peroxiredoxins, prx-1, prx-2, prx-3, putative 0.0089 0.0228 0.8514
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0005 0.0087
Echinococcus granulosus glutamate receptor 2 0.0025 0.0016 0.0318
Trichomonas vaginalis peroxiredoxins, prx-1, prx-2, prx-3, putative 0.003 0.0033 0.1086
Brugia malayi thioredoxin peroxidase 1 0.0089 0.0228 0.6359
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0101 0.0267 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Schistosoma mansoni lipoxygenase 0.0061 0.0135 0.0468
Trichomonas vaginalis peroxiredoxins, prx-1, prx-2, prx-3, putative 0.0089 0.0228 0.8514
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.001 0.0137
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0025 0.0016 0.0318
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0005 0.0143
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0005 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0005 0.0087
Toxoplasma gondii peroxiredoxin 6, putative 0.0089 0.0228 0.8333
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0023 0.001 0.0223
Loa Loa (eye worm) RGC/RGC protein kinase 0.0025 0.0016 0.0457
Brugia malayi nuclear receptor NHR-88 0.0021 0.0005 0.0087
Brugia malayi hypothetical protein 0.0022 0.0006 0.0116
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0065 0.0216
Mycobacterium tuberculosis Probable peroxiredoxin AhpE 0.0089 0.0228 0.0195
Echinococcus granulosus glutamate receptor 2 0.0025 0.0016 0.0318
Trypanosoma cruzi peroxidoxin 0.0089 0.0228 0.8447
Loa Loa (eye worm) glutamate receptor 0.0103 0.0276 0.7719
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.0101 0.0267 0.0234
Treponema pallidum alkyl hydroperoxide reductase (ahpC) 0.0089 0.0228 0.5
Plasmodium falciparum thioredoxin peroxidase 1 0.0089 0.0228 0.8507
Loa Loa (eye worm) RGC/RGC protein kinase 0.0025 0.0016 0.0457
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Schistosoma mansoni thyroid hormone receptor 0.0099 0.0262 0.0927
Echinococcus multilocularis nmda type glutamate receptor 0.0025 0.0016 0.0318
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.0006 0.0029
Entamoeba histolytica peroxiredoxin 0.0089 0.0228 0.8447
Brugia malayi Receptor family ligand binding region containing protein 0.0025 0.0016 0.0403
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0078 0.0191 0.5282
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0006 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0005 0.0087
Loa Loa (eye worm) RGC/RGC protein kinase 0.0025 0.0016 0.0457
Giardia lamblia Peroxiredoxin 1 0.0089 0.0228 0.8333
Schistosoma mansoni glutamate receptor NMDA 0.0025 0.0016 0.0041
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0101 0.0267 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0025 0.0016 0.1592
Plasmodium falciparum 1-cys peroxiredoxin 0.0089 0.0228 0.8507
Onchocerca volvulus 0.0025 0.0016 0.1592
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0005 0.0087
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0005 0.0087
Giardia lamblia Peroxiredoxin 1 0.0089 0.0228 0.8333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0005 0.0143
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0101 0.0267 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0005 0.0087
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0101 0.0267 1
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0089 0.0228 0.8514
Trypanosoma cruzi tryparedoxin peroxidase, putative 0.0089 0.0228 0.8447
Echinococcus multilocularis receptor type guanylyl cyclase 0.0025 0.0016 0.0318
Leishmania major tryparedoxin peroxidase 0.0089 0.0228 0.8447
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0005 0.0087
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0101 0.0267 0.0946
Loa Loa (eye worm) hypothetical protein 0.0025 0.0016 0.0457
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0025 0.0016 0.0318
Schistosoma mansoni lipoxygenase 0.0022 0.0006 0.0004
Echinococcus granulosus GPCR family 3 C terminal 0.0043 0.0076 0.1999
Echinococcus granulosus atrial natriuretic peptide receptor 0.0025 0.0016 0.0318
Trypanosoma cruzi tryparedoxin peroxidase, putative 0.0089 0.0228 0.8447
Brugia malayi steroid hormone receptor 0.0021 0.0005 0.0087
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0025 0.0016 0.0318

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 269 nM In vitro cytotoxicity against human leukemia CCRF-CEM tumor cell lines ChEMBL. 10411479
IC50 (functional) = 269 nM In vitro cytotoxicity against human leukemia CCRF-CEM tumor cell lines ChEMBL. 10411479

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10411479

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.