Detailed information for compound 1458308

Basic information

Technical information
  • TDR Targets ID: 1458308
  • Name: 2-[3-(trifluoromethyl)phenyl]hexahydropyrrolo [3',4':4,5]isoxazolo[2,3-a]pyridine-1,3(2H,3a H)-dione
  • MW: 340.297 | Formula: C16H15F3N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@H]1CCCCN1O2
  • InChi: 1S/C16H15F3N2O3/c17-16(18,19)9-4-3-5-10(8-9)21-14(22)12-11-6-1-2-7-20(11)24-13(12)15(21)23/h3-5,8,11-13H,1-2,6-7H2/t11-,12-,13+/m1/s1
  • InChiKey: QUGMFEZLVDFSEJ-UPJWGTAASA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000763800
  • SMR000334142
  • 4G-931

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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 multilocularis TGF beta signal transducer SmadC 0.005 0.0275 0.0396
Brugia malayi regulator of G-protein signaling egl-10 0.0028 0.0113 0.0113
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0089 0.504
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.0089 0.504
Loa Loa (eye worm) isocitrate dehydrogenase 0.0069 0.0411 0.0411
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0039 0.0949
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.01 0.2426
Schistosoma mansoni hypothetical protein 0.0441 0.3104 0.4475
Brugia malayi RasGEF domain containing protein 0.002 0.0055 0.0055
Giardia lamblia Cathepsin B precursor 0.0046 0.0243 1
Loa Loa (eye worm) RasGEF domain-containing protein 0.002 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0028 0.0113 0.0113
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0138 0.0914 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Mycobacterium ulcerans thioesterase TesA 0.002 0.0059 0.3368
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0275 0.0275
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.0243 0.035
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0028 0.0113 0.0162
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.0914 0.1318
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.0411 0.4498
Giardia lamblia Cathepsin B precursor 0.0046 0.0243 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0011 0.0016
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.0029 0.1642
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0275 0.0396
Brugia malayi hypothetical protein 0.002 0.0054 0.0054
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0275 0.0396
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.002 0.0055 0.2265
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.097 0.6936 0.6936
Loa Loa (eye worm) hypothetical protein 0.0138 0.0914 0.0914
Brugia malayi MH1 domain containing protein 0.0028 0.0113 0.0113
Echinococcus granulosus GPCR family 2 0.0441 0.3104 0.4475
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0027 0.065
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0012 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0441 0.3104 0.4475
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0083 0.2028
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0055 0.0079
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.0029 0.1642
Echinococcus multilocularis cathepsin b 0.0138 0.0914 0.1318
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0132 0.3221
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.002 0.0055 0.0079
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0069 0.0411 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.01 0.5663
Trypanosoma cruzi hypothetical protein 0.002 0.0055 0.0601
Echinococcus granulosus Smad4 0.005 0.0275 0.0396
Schistosoma mansoni smad1 5 8 and 0.005 0.0275 0.0396
Schistosoma mansoni tar DNA-binding protein 0.097 0.6936 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0022 0.0074 0.0107
Brugia malayi N-terminal motif family protein 0.002 0.0055 0.0055
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.0411 1
Brugia malayi MH2 domain containing protein 0.0736 0.5238 0.5238
Loa Loa (eye worm) TAR-binding protein 0.097 0.6936 0.6936
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0.0411 1
Treponema pallidum catabolite gene activator (Crp) 0.0012 0 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.01 0.2426
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0138 0.0914 0.1318
Schistosoma mansoni dep domain containing protein 0.0028 0.0113 0.0162
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0028 0.0113 0.0162
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0077 0.0077
Toxoplasma gondii cathepsin B 0.0046 0.0243 0.5904
Loa Loa (eye worm) RNA binding protein 0.097 0.6936 0.6936
Brugia malayi RasGEF domain containing protein 0.002 0.0055 0.0055
Toxoplasma gondii hypothetical protein 0.0028 0.0113 0.2737
Brugia malayi Smad1 0.005 0.0275 0.0275
Echinococcus multilocularis Protein son of sevenless 0.002 0.0055 0.0079
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0083 0.2028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0074 0.0074
Loa Loa (eye worm) transcription factor SMAD2 0.0736 0.5238 0.5238
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0441 0.3104 0.4475
Brugia malayi hypothetical protein 0.0028 0.0113 0.0113
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0132 0.3221
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0036 0.0176 0.4285
Trichomonas vaginalis ras GTP exchange factor, putative 0.002 0.0055 0.2265
Echinococcus granulosus ras GTP exchange factor 0.002 0.0055 0.0079
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0028 0.0113 0.0162
Loa Loa (eye worm) hypothetical protein 0.0028 0.0113 0.0113
Mycobacterium ulcerans polyketide synthase Pks13 0.0036 0.0176 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0022 0.0074 0.0074
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0952 0.6808 0.6808
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Leishmania major hypothetical protein, conserved 0.003 0.0132 0.3221
Brugia malayi Calcitonin receptor-like protein seb-1 0.1393 1 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.0029 0.1642
Echinococcus granulosus mothers against decapentaplegic 6 0.0022 0.0074 0.0107
Loa Loa (eye worm) hypothetical protein 0.0441 0.3104 0.3104
Onchocerca volvulus 0.0023 0.0077 0.0194
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0013 0.0305
Schistosoma mansoni hypothetical protein 0.0441 0.3104 0.4475
Mycobacterium ulcerans polyketide synthase 0.0024 0.0089 0.504
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0132 0.3221
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0089 0.2159
Loa Loa (eye worm) hypothetical protein 0.002 0.0055 0.0055
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0036 0.0176 0.4285
Loa Loa (eye worm) Smad1 0.005 0.0275 0.0275
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0069 0.0411 0.4498
Echinococcus multilocularis regulator of G protein signaling 7 0.0028 0.0113 0.0162
Brugia malayi MH2 domain containing protein 0.005 0.0275 0.0275
Mycobacterium leprae Polyketide synthase Pks13 0.0036 0.0176 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0055 0.0079
Loa Loa (eye worm) RasGEF domain-containing protein 0.002 0.0055 0.0055
Echinococcus multilocularis GPCR, family 2 0.0441 0.3104 0.4475
Brugia malayi MH1 domain containing protein 0.0028 0.0113 0.0113
Loa Loa (eye worm) latrophilin receptor protein 2 0.0441 0.3104 0.3104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0113 0.0113
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0028 0.0113 0.0113
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0441 0.3104 0.3104
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.0411 0.0593
Echinococcus granulosus smad 0.005 0.0275 0.0396
Treponema pallidum cyclic nucleotide binding protein 0.0012 0 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0275 0.0396
Onchocerca volvulus 0.0028 0.0113 0.0282
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0089 0.504
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.01 0.2426
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.0089 0.0089
Brugia malayi MH2 domain containing protein 0.0022 0.0074 0.0074
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0086 0.0086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1393 1 1
Brugia malayi DIX domain containing protein 0.0028 0.0113 0.0113
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0069 0.0411 0.0593
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0089 0.504
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0089 0.2159
Giardia lamblia Cathepsin B precursor 0.0046 0.0243 1
Schistosoma mansoni hypothetical protein 0.0441 0.3104 0.4475
Echinococcus multilocularis tar DNA binding protein 0.097 0.6936 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.01 0.5663
Schistosoma mansoni Smad4 0.005 0.0275 0.0396
Schistosoma mansoni Smad4 0.0022 0.0074 0.0107
Trypanosoma cruzi hypothetical protein 0.002 0.0055 0.0601
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0563 0.3986 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.01 0.5663
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0069 0.0411 0.0593
Echinococcus multilocularis ras GTP exchange factor 0.002 0.0055 0.0079
Echinococcus granulosus tar DNA binding protein 0.097 0.6936 1
Echinococcus multilocularis smad 0.005 0.0275 0.0396
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0057 0.1376
Brugia malayi mothers against decapentaplegic homolog 3 0.0022 0.0074 0.0074
Brugia malayi hypothetical protein 0.0028 0.0113 0.0113
Loa Loa (eye worm) MH2 domain-containing protein 0.0022 0.0074 0.0074
Schistosoma mansoni tar DNA-binding protein 0.097 0.6936 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0046 0.0243 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0132 0.1449
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0275 0.0275
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.01 0.2426
Echinococcus granulosus regulator of G protein signaling 7 0.0028 0.0113 0.0162
Loa Loa (eye worm) hypothetical protein 0.0014 0.0011 0.0011
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.002 0.0055 0.0079
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0046 0.0243 0.2656
Loa Loa (eye worm) nuclear factor I 0.0028 0.0113 0.0113
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.002 0.0055 0.0138
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0247 0.0247
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0028 0.0113 0.0162
Schistosoma mansoni smad1 5 8 and 0.005 0.0275 0.0396
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0054 0.308
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0132 0.1449
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0275 0.0396
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0028 0.0113 0.0282
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0069 0.0411 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0089 0.504
Toxoplasma gondii isocitrate dehydrogenase 0.0069 0.0411 1
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.002 0.0055 0.2265
Echinococcus granulosus Protein son of sevenless 0.002 0.0055 0.0079
Echinococcus granulosus son of sevenless 1 0.002 0.0055 0.0079
Brugia malayi isocitrate dehydrogenase 0.0069 0.0411 0.0411
Brugia malayi cathepsin B-like cysteine proteinase 0.0138 0.0914 0.0914
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0046 0.0243 0.5904
Schistosoma mansoni smad1 5 8 and 0.005 0.0275 0.0396
Brugia malayi RNA binding protein 0.097 0.6936 0.6936
Echinococcus granulosus cathepsin b 0.0138 0.0914 0.1318
Treponema pallidum catabolite gene activator 0.0012 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Schistosoma mansoni dishevelled 0.0028 0.0113 0.0162
Echinococcus granulosus segment polarity protein dishevelled 0.0028 0.0113 0.0162
Loa Loa (eye worm) cathepsin B 0.0046 0.0243 0.0243
Schistosoma mansoni tar DNA-binding protein 0.097 0.6936 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0028 0.0113 0.0162
Schistosoma mansoni Smad4 0.0022 0.0074 0.0107
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0563 0.3986 0.3986
Trichomonas vaginalis ras GTP exchange factor, putative 0.002 0.0055 0.2265
Onchocerca volvulus 0.002 0.0055 0.0138
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0038 0.0921
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0012 0.0001 0.0034
Schistosoma mansoni regulator of G protein signaling 0.0028 0.0113 0.0162
Brugia malayi N-terminal motif family protein 0.002 0.0055 0.0055
Schistosoma mansoni tar DNA-binding protein 0.097 0.6936 1
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.002 0.0055 0.0079
Echinococcus multilocularis segment polarity protein dishevelled 0.0028 0.0113 0.0162
Loa Loa (eye worm) hypothetical protein 0.0041 0.0209 0.0209
Loa Loa (eye worm) MH2 domain-containing protein 0.0736 0.5238 0.5238
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0132 0.3221
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.0411 0.0593
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0441 0.3104 0.4475
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0054 0.308
Brugia malayi MH1 domain containing protein 0.005 0.0275 0.0275
Entamoeba histolytica hypothetical protein 0.002 0.0055 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0069 0.0411 1
Loa Loa (eye worm) hypothetical protein 0.1393 1 1
Schistosoma mansoni smad 0.0022 0.0074 0.0107
Schistosoma mansoni ras GTP exchange factor 0.002 0.0055 0.0079
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0028 0.0113 0.0113
Echinococcus granulosus cathepsin b 0.0138 0.0914 0.1318
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0069 0.0411 0.0593
Schistosoma mansoni smad 0.005 0.0275 0.0396
Schistosoma mansoni hypothetical protein 0.0952 0.6808 0.9816
Loa Loa (eye worm) RasGEF domain-containing protein 0.002 0.0055 0.0055
Mycobacterium ulcerans polyketide synthase 0.0026 0.01 0.5663
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0077 0.1877
Schistosoma mansoni hypothetical protein 0.0441 0.3104 0.4475
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.002 0.0055 0.0601
Treponema pallidum cyclic nucleotide binding protein 0.0012 0 0.5
Brugia malayi hypothetical protein 0.003 0.0132 0.0132
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0132 0.3221
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.0914 0.1318
Loa Loa (eye worm) hypothetical protein 0.002 0.0055 0.0055
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0441 0.3104 0.4475
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.002 0.0055 0.0079
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0028 0.0113 0.0113
Trypanosoma brucei cysteine peptidase C (CPC) 0.0046 0.0243 0.5904
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0059 0.3368
Brugia malayi MH2 domain containing protein 0.005 0.0275 0.0275
Echinococcus multilocularis Smad4 0.005 0.0275 0.0396
Loa Loa (eye worm) hypothetical protein 0.003 0.0132 0.0132
Schistosoma mansoni dishevelled 0.0028 0.0113 0.0162
Echinococcus multilocularis mothers against decapentaplegic 6 0.0022 0.0074 0.0107
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0054 0.308
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0069 0.0411 1
Echinococcus multilocularis son of sevenless 1 0.002 0.0055 0.0079
Loa Loa (eye worm) DIX domain-containing protein 0.0028 0.0113 0.0113
Brugia malayi RasGEF domain containing protein 0.002 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0028 0.0113 0.0113
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0952 0.6808 0.6808
Schistosoma mansoni tar DNA-binding protein 0.097 0.6936 1
Mycobacterium ulcerans thioesterase 0.002 0.0059 0.3368
Brugia malayi RNA recognition motif domain containing protein 0.097 0.6936 0.6936
Echinococcus multilocularis cathepsin b 0.0138 0.0914 0.1318
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.01 0.5663
Echinococcus granulosus segment polarity protein dishevelled 0.0028 0.0113 0.0162
Schistosoma mansoni z-protein (S1r protein) 0.0028 0.0113 0.0162
Schistosoma mansoni hypothetical protein 0.0014 0.0011 0.0016
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0069 0.0411 1
Brugia malayi TAR-binding protein 0.097 0.6936 0.6936
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0089 0.2159
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.0914 0.1318
Echinococcus multilocularis isocitrate dehydrogenase 0.0069 0.0411 0.0593
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.01 0.5663
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.0231 0.0579
Brugia malayi Isocitrate dehydrogenase 0.0069 0.0411 0.0411
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.002 0.0055 0.0079
Onchocerca volvulus 0.0042 0.022 0.0551
Brugia malayi N-terminal motif family protein 0.0563 0.3986 0.3986
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0059 0.1443
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0055 0.0079
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0069 0.0411 0.0593
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.002 0.0055 0.5
Brugia malayi MH1 domain containing protein 0.005 0.0275 0.0275
Echinococcus granulosus regulator of G protein signaling 7 0.0028 0.0113 0.0162
Brugia malayi RasGEF domain containing protein 0.0013 0.0004 0.0004
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0011 0.0016
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.0089 0.504
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0019 0.0048 0.0069
Brugia malayi Latrophilin receptor protein 2 0.0441 0.3104 0.3104
Echinococcus granulosus mothers against decapentaplegic 2 0.0022 0.0074 0.0107
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0022 0.0074 0.0186

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2668 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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