Detailed information for compound 176964

Basic information

Technical information
  • TDR Targets ID: 176964
  • Name: 5-hydroxy-1-methyl-5-phenylpyrrolidin-2-one
  • MW: 191.226 | Formula: C11H13NO2
  • H donors: 1 H acceptors: 2 LogP: 0.55 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C(=O)CCC1(O)c1ccccc1
  • InChi: 1S/C11H13NO2/c1-12-10(13)7-8-11(12,14)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
  • InChiKey: YISVUHTYBANBBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-hydroxy-1-methyl-5-phenyl-pyrrolidin-2-one
  • 5-hydroxy-1-methyl-5-phenyl-2-pyrrolidinone
  • 5-hydroxy-1-methyl-5-phenyl-2-pyrrolidone
  • 23132-30-1
  • 4G-034
  • AIDS-018740
  • AIDS018740
  • Bionet2_001594
  • MLS000105902
  • SMR000102876
  • 2-Pyrrolidinone, 5-hydroxy-1-methyl-5-phenyl-
  • 5-21-12-00236 (Beilstein Handbook Reference)
  • BRN 0148146

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 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
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0055 0.0278
Brugia malayi hypothetical protein 0.0026 0.0049 0.0162
Echinococcus multilocularis insulin receptor 0.0151 0.0797 0.1618
Loa Loa (eye worm) TK/ROR protein kinase 0.0026 0.0052 0.0106
Loa Loa (eye worm) hypothetical protein 0.0033 0.0092 0.0187
Schistosoma mansoni cell adhesion molecule 0.0035 0.0107 0.0212
Loa Loa (eye worm) TK/EGFR protein kinase 0.0458 0.2636 0.5367
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0011 0.0016
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1612 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0142 0.082
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0734 0.2467
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0142 0.0284
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0189 0.0645
Echinococcus granulosus cpg binding protein 0.003 0.0074 0.0146
Echinococcus multilocularis peroxidasin 0.0035 0.0107 0.0212
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.0107 0.0217
Schistosoma mansoni tyrosine kinase 0.024 0.1333 0.271
Echinococcus multilocularis snurportin 1 0.035 0.1989 0.4047
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.0623 0.1264
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.004 0.2268
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0035 0.0107 0.0217
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0142 0.6408
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0035 0.0035
Schistosoma mansoni ap endonuclease 0.0019 0.0011 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0142 1
Echinococcus multilocularis lachesin 0.0035 0.0107 0.0212
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Echinococcus multilocularis neuroglian 0.0035 0.0107 0.0212
Echinococcus granulosus tyrosine protein kinase otk 0.0035 0.0107 0.0212
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0151 0.0797 0.1618
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0096 0.0324
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.004 0.4377
Loa Loa (eye worm) hypothetical protein 0.0023 0.0035 0.0072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0096 0.0196
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0035 0.0154
Trypanosoma brucei glucosidase, putative 0.0041 0.0142 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0839 0.4911 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0151 0.0797 0.1618
Schistosoma mansoni tyrosine kinase 0.0458 0.2636 0.5364
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0734 0.0734
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0049 0.1902
Echinococcus granulosus defective proboscis extension response 0.0068 0.0303 0.0611
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0035 0.0113
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0049 0.5376
Brugia malayi Importin beta-1 subunit 0.0033 0.0092 0.031
Schistosoma mansoni alpha-glucosidase 0.0159 0.085 0.1725
Loa Loa (eye worm) TK protein kinase 0.0139 0.0727 0.148
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Trichomonas vaginalis ran, putative 0.0024 0.004 0.0186
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0068 0.0303 0.0611
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.004 0.0131
Brugia malayi Immunoglobulin I-set domain containing protein 0.0139 0.0727 0.251
Treponema pallidum replicative DNA helicase (dnaB) 0.0379 0.2165 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0092 0.3979
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0035 0.0107 0.0212
Echinococcus multilocularis hormone sensitive lipase 0.0839 0.4911 1
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0142 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0035 0.0163
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0142 0.082
Plasmodium vivax importin-beta 2, putative 0.0033 0.0092 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0035 0.0154
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0142 0.0482
Schistosoma mansoni tyrosine kinase 0.024 0.1333 0.271
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0839 0.4911 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0035 0.0107 0.0212
Echinococcus granulosus microtubule associated protein 2 0.0678 0.3948 0.8037
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Leishmania major hypothetical protein, conserved 0.0026 0.0049 0.2968
Schistosoma mansoni tyrosine kinase 0.0249 0.1385 0.2817
Echinococcus granulosus Immunoglobulin 0.0068 0.0303 0.0611
Brugia malayi Prion-like- 0.0035 0.0107 0.036
Schistosoma mansoni hypothetical protein 0.0043 0.0156 0.0312
Echinococcus multilocularis roundabout 2 0.0103 0.0513 0.104
Loa Loa (eye worm) hypothetical protein 0.0103 0.0513 0.1045
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.0623 0.1264
Brugia malayi Protein kinase domain containing protein 0.0151 0.0797 0.2752
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0185 0.1004 0.2044
Onchocerca volvulus Tyrosine kinase homolog 0.0432 0.2478 1
Schistosoma mansoni Replicative DNA helicase 0.0379 0.2165 0.4405
Echinococcus granulosus roundabout 2 0.0035 0.0107 0.0212
Echinococcus granulosus roundabout 2 0.0035 0.0107 0.0212
Brugia malayi Peroxidasin 0.0035 0.0107 0.036
Echinococcus granulosus snurportin 1 0.035 0.1989 0.4047
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0092 0.621
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0049 0.2968
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.0107 0.0217
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0156 0.0312
Schistosoma mansoni cpg binding protein 0.003 0.0074 0.0146
Loa Loa (eye worm) LAD-2 short isoform 0.0018 0.0003 0.0005
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.004 0.0082
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.1004 0.204
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0142 0.082
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0142 0.082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0189 0.0384
Echinococcus granulosus importin subunit beta 1 0.0033 0.0092 0.0182
Loa Loa (eye worm) hypothetical protein 0.0023 0.0035 0.0072
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0142 0.082
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0035 0.0163
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.131 0.7731 0.7731
Brugia malayi Glycosyl hydrolases family 31 protein 0.0185 0.1004 0.347
Echinococcus granulosus dnaJ subfamily B 0.0402 0.2297 0.4675
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Brugia malayi RNA, U transporter 1 0.0093 0.0454 0.1563
Schistosoma mansoni cell adhesion molecule 0.0035 0.0107 0.0212
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0005
Echinococcus granulosus epidermal growth factor receptor 0.0249 0.1385 0.2817
Echinococcus granulosus contactin 0.0035 0.0107 0.0212
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0068 0.0303 0.0611
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0839 0.4911 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 0.1612 1
Echinococcus granulosus peroxidasin 0.0035 0.0107 0.0212
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0035 0.1878
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Brugia malayi follicle stimulating hormone receptor 0.0236 0.1307 0.4519
Schistosoma mansoni cpg binding protein 0.003 0.0074 0.0146
Schistosoma mansoni hypothetical protein 0.0033 0.0096 0.019
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0215 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Schistosoma mansoni tyrosine kinase 0.0122 0.0623 0.1264
Schistosoma mansoni ran 0.0024 0.004 0.0077
Onchocerca volvulus 0.0028 0.0065 0.012
Schistosoma mansoni titin 0.0035 0.0107 0.0212
Echinococcus granulosus lysosomal alpha glucosidase 0.0185 0.1004 0.204
Schistosoma mansoni cpg binding protein 0.0028 0.0065 0.0126
Schistosoma mansoni vesicular amine transporter 0.0068 0.0303 0.0611
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.1307 0.266
Leishmania major GTP-binding protein, putative 0.0024 0.004 0.2268
Brugia malayi hypothetical protein 0.0043 0.0156 0.0531
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0142 0.082
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.004 0.1453
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0055 0.0278
Schistosoma mansoni nephrin 0.0085 0.0407 0.0823
Schistosoma mansoni hypothetical protein 0.0402 0.2297 0.4675
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0035 0.0035
Brugia malayi Immunoglobulin I-set domain containing protein 0.05 0.2888 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0035 0.0163
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Schistosoma mansoni ran 0.0024 0.004 0.0077
Plasmodium falciparum importin beta, putative 0.0033 0.0092 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0005
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Schistosoma mansoni septate junction protein 0.0035 0.0107 0.0212
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0035 0.0107 0.0292
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0068 0.0303 0.0611
Loa Loa (eye worm) hypothetical protein 0.0103 0.0513 0.1045
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0035 0.0107 0.0217
Entamoeba histolytica hypothetical protein 0.0043 0.0156 0.0907
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.004 0.0077
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0035 0.0163
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.004 0.0186
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0011 0.0049
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0107 0.0212
Leishmania major importin beta-1 subunit, putative 0.0027 0.0055 0.3386
Loa Loa (eye worm) hypothetical protein 0.0026 0.0049 0.0101
Echinococcus granulosus lachesin 0.0035 0.0107 0.0212
Echinococcus granulosus epidermal growth factor receptor 0.0458 0.2636 0.5364
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Echinococcus multilocularis roundabout 2 0.0035 0.0107 0.0212
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0026 0.0052 0.0101
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0011 0.0021
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0035 0.0154
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0142 0.082
Schistosoma mansoni septate junction protein 0.0035 0.0107 0.0212
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0035 0.0163
Echinococcus multilocularis hemicentin 1 0.0035 0.0107 0.0212
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0018 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0086 0.0409 0.0833
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0035 0.0107 0.0212
Mycobacterium ulcerans hypothetical protein 0.0023 0.0035 0.0163
Schistosoma mansoni tyrosine kinase 0.024 0.1333 0.271
Echinococcus granulosus neuroglian 0.0085 0.0407 0.0823
Loa Loa (eye worm) hypothetical protein 0.0023 0.0035 0.0072
Echinococcus multilocularis tyrosine protein kinase otk 0.0035 0.0107 0.0212
Loa Loa (eye worm) hypothetical protein 0.0839 0.4911 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0011 0.0011
Onchocerca volvulus 0.0406 0.2322 0.9361
Brugia malayi CXXC zinc finger family protein 0.0028 0.0065 0.0215
Echinococcus multilocularis 0.014 0.0733 0.1487
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.035 0.1989 0.405
Mycobacterium leprae Conserved hypothetical protein 0.0497 0.2869 1
Schistosoma mansoni roundabout 0.0035 0.0107 0.0212
Entamoeba histolytica hypothetical protein 0.0043 0.0156 0.0907
Schistosoma mansoni tyrosine kinase 0.0151 0.0797 0.1618
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0035 0.1878
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.0623 0.1264
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1612 1
Schistosoma mansoni neuroglian 0.0035 0.0107 0.0212
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0249 0.1385 0.2817
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Entamoeba histolytica hypothetical protein 0.0043 0.0156 0.0907
Schistosoma mansoni cell adhesion molecule 0.0086 0.0409 0.0829
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0142 0.082
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0005
Schistosoma mansoni nephrin 0.0035 0.0107 0.0212
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0049 0.5376
Echinococcus multilocularis Immunoglobulin 0.0068 0.0303 0.0611
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0026 0.0052 0.0101
Entamoeba histolytica hypothetical protein 0.0027 0.0055 0.0278
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0092 0.0182
Onchocerca volvulus 0.0107 0.0537 0.2053
Echinococcus multilocularis neuroglian 0.0085 0.0407 0.0823
Schistosoma mansoni hypothetical protein 0.035 0.1989 0.4047
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0379 0.2165 0.7515
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0035 0.0113
Echinococcus multilocularis epidermal growth factor receptor 0.0458 0.2636 0.5364
Schistosoma mansoni cell adhesion molecule 0.0035 0.0107 0.0212
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0035 0.0107 0.0212
Treponema pallidum fructose-bisphosphate aldolase 0.0287 0.1612 0.7434
Schistosoma mansoni tyrosine kinase 0.0044 0.0159 0.0318
Schistosoma mansoni alpha glucosidase 0.0041 0.0142 0.0284
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0142 0.0289
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0011 0.1143
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0035 0.0107 0.0212
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0035 0.0107 0.0212
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0107 0.036
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0011 0.1143
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0035 0.0113
Schistosoma mansoni importin beta-1 0.0033 0.0092 0.0182
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0035 0.0163
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0055 0.0278
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0142 0.082
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0065 0.0132
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Schistosoma mansoni tyrosine kinase 0.0151 0.0797 0.1618
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0156 0.0312
Entamoeba histolytica Ran family GTPase 0.0024 0.004 0.0186
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.004 0.2268
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0035 0.0163
Echinococcus multilocularis roundabout 2 0.0035 0.0107 0.0212
Echinococcus multilocularis Immunoglobulin 0.0068 0.0303 0.0611
Schistosoma mansoni ap endonuclease 0.0019 0.0011 0.0016
Echinococcus granulosus roundabout 2 0.0103 0.0513 0.104
Echinococcus granulosus hormone sensitive lipase 0.0839 0.4911 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0189 0.0645
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.004 0.2268
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.004 0.0077
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.2297 0.4675
Loa Loa (eye worm) twinkle helicase 0.0108 0.0544 0.1108
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0011 0.0027
Echinococcus granulosus twitchin 0.0085 0.0407 0.0823
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0011 0.0016
Chlamydia trachomatis replicative DNA helicase 0.0379 0.2165 1
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0379 0.2165 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0303 0.0616
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.0623 0.1264
Echinococcus granulosus neuroglian 0.0035 0.0107 0.0212
Echinococcus multilocularis epidermal growth factor receptor 0.0249 0.1385 0.2817
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0142 0.0284
Brugia malayi Furin-like cysteine rich region family protein 0.0458 0.2636 0.9127
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0092 0.621
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0142 0.082
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0142 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0055 0.3386
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0005
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0049 0.2968
Loa Loa (eye worm) immunoglobulin domain-containing protein 0.0018 0.0003 0.0005
Schistosoma mansoni alpha-glucosidase 0.0159 0.085 0.1725
Echinococcus multilocularis hemicentin 1 0.0035 0.0107 0.0212
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0049 0.5376
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.3948 0.8037
Loa Loa (eye worm) hypothetical protein 0.0049 0.0189 0.0384
Echinococcus granulosus hemicentin 1 0.0035 0.0107 0.0212
Brugia malayi Immunoglobulin I-set domain containing protein 0.0068 0.0303 0.104
Echinococcus granulosus insulin receptor 0.0151 0.0797 0.1618
Echinococcus multilocularis lysosomal alpha glucosidase 0.0185 0.1004 0.204
Loa Loa (eye worm) TK/KIN16 protein kinase 0.05 0.2888 0.588
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0254 0.0511
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0734 0.3392
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0086 0.0409 0.0829
Brugia malayi Fibronectin type III domain containing protein 0.0068 0.0303 0.104
Loa Loa (eye worm) hypothetical protein 0.0035 0.0107 0.0217
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0035 0.0107 0.0212
Entamoeba histolytica hypothetical protein 0.0043 0.0156 0.0907
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.3948 0.8037
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0049 0.2968
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0142 0.082
Brugia malayi hypothetical protein 0.0068 0.0303 0.104
Echinococcus multilocularis cpg binding protein 0.003 0.0074 0.0146
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0379 0.2165 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0151 0.0797 0.1622
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0156 0.0312
Loa Loa (eye worm) hypothetical protein 0.0018 0.0003 0.0005
Schistosoma mansoni tyrosine kinase 0.0249 0.1385 0.2817
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0035 0.1878
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.004 0.4377

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 137.5 mg kg-1 Anticonvulsant activity against N-sulfamoylhexahydrozepine (10 mice were used per dose, ip) ChEMBL. 3965710
ED50 (functional) = 137.5 mg kg-1 Anticonvulsant activity against N-sulfamoylhexahydrozepine (10 mice were used per dose, ip) ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against Mice ataxia, ip administration ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against Mice docility, ip administration ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against loss of righting reflex in mice (10 mice per dose, ip) ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against Mice ataxia, ip administration ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against Mice docility, ip administration ChEMBL. 3965710
ED50 (functional) > 200 mg kg-1 Effective dose against loss of righting reflex in mice (10 mice per dose, ip) ChEMBL. 3965710
LD50 (ADMET) = 300 mg kg-1 Lethal dose was obtained by 2-h post administration (ip), using four male Royal Hart Wistar rats ChEMBL. 3965710
ND50 (functional) > 200 mg kg-1 Ability to produce neurological deficit in the rotorod test (10 mice were used per dose, ip) ChEMBL. 3965710
ND50 (functional) > 200 mg kg-1 Ability to produce neurological deficit in the rotorod test (10 mice were used per dose, ip) ChEMBL. 3965710
Potency (functional) 0.0046 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
RD50 (functional) = 150 mg kg-1 Ability to reinduce anesthesia (70 mg/kg, iv) following recovery of loss of righting reflex obtained with hexobarbital. ChEMBL. 3965710
RD50 (functional) = 150 mg kg-1 Ability to reinduce anesthesia (70 mg/kg, iv) following recovery of loss of righting reflex obtained with hexobarbital. ChEMBL. 3965710

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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