Detailed information for compound 763741

Basic information

Technical information
  • TDR Targets ID: 763741
  • Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]me thyl]-4-[2-(phenoxy)ethyl]piperidine-4-carbox ylate
  • MW: 441.56 | Formula: C26H35NO5
  • H donors: 1 H acceptors: 2 LogP: 3.77 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(CCOc2ccccc2)CCN(CC1)Cc1ccc(c(c1)CO)OCC
  • InChi: 1S/C26H35NO5/c1-3-30-24-11-10-21(18-22(24)20-28)19-27-15-12-26(13-16-27,25(29)31-4-2)14-17-32-23-8-6-5-7-9-23/h5-11,18,28H,3-4,12-17,19-20H2,1-2H3
  • InChiKey: KGZSBGPQDDOSCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-[2-(phenoxy)ethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-(4-ethoxy-3-methylol-benzyl)-4-[2-(phenoxy)ethyl]isonipecotic acid ethyl ester
  • MLS001000317
  • SMR000497230
  • ethyl 1-[4-ethoxy-3-(hydroxymethyl)benzyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis lysine--tRNA ligase 0.0048 0.0322 1
Onchocerca volvulus 0.003 0.0123 0.5
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.0123 0.0563
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Schistosoma mansoni hypothetical protein 0.0038 0.0214 0.0978
Treponema pallidum prolyl-tRNA synthetase 0.0023 0.004 0.5
Trypanosoma cruzi glucose transporter, putative 0.003 0.0123 0.1968
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0214 0.0978
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0627 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Toxoplasma gondii facilitative glucose transporter GT1 0.0214 0.2192 0.3328
Entamoeba histolytica protein kinase, putative 0.0065 0.0522 1
Leishmania major glucose transporter, lmgt1 0.0066 0.0531 0.8479
Plasmodium falciparum protein kinase 7 0.0603 0.6585 0.6585
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.0123 0.5114
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0065 0.0522 0.0522
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0531 0.1973
Toxoplasma gondii lysine-tRNA ligase 0.0048 0.0322 0.0489
Leishmania major glucose transporter/membrane transporter D2, putative 0.0066 0.0531 0.8479
Onchocerca volvulus 0.003 0.0123 0.5
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0123 0.0563
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Onchocerca volvulus 0.003 0.0123 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0214 0.0978
Schistosoma mansoni hypothetical protein 0.0214 0.2192 1
Leishmania major lysyl-tRNA synthetase, putative 0.0048 0.0322 0.5141
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Brugia malayi Sugar transporter family protein 0.003 0.0123 0.0563
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0241 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0627 1
Onchocerca volvulus 0.003 0.0123 0.5
Schistosoma mansoni glucose transporter 0.003 0.0123 0.0563
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0322 0.147
Toxoplasma gondii sugar transporter ST3 0.003 0.0123 0.0187
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0064 0.0507 0.9253
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0531 0.1973
Brugia malayi Sugar transporter family protein 0.003 0.0123 0.0563
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0214 0.0978
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0531 0.8479
Echinococcus multilocularis solute carrier family 22 0.003 0.0123 0.0563
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0531 0.8479
Toxoplasma gondii protein kinase, putative 0.0603 0.6585 1
Schistosoma mansoni glucose transport protein 0.0214 0.2192 1
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Plasmodium falciparum calcium-dependent protein kinase 3 0.0065 0.0522 0.0522
Trypanosoma cruzi sugar transporter, putative 0.003 0.0123 0.1968
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0345 0.3674 0.5579
Schistosoma mansoni protein kinase 0.0065 0.0522 0.2381
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.1142 0.5211
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.0123 0.0563
Onchocerca volvulus Putative transporter 0.003 0.0123 0.5
Plasmodium falciparum proline--tRNA ligase 0.0075 0.0627 0.0627
Plasmodium vivax proline--tRNA ligase, putative 0.0075 0.0627 0.0627
Trypanosoma cruzi hexose transporter 0.0066 0.0531 0.8479
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Onchocerca volvulus 0.003 0.0123 0.5
Schistosoma mansoni glucose transport protein 0.0214 0.2192 1
Brugia malayi Sugar transporter family protein 0.0214 0.2192 1
Echinococcus multilocularis General substrate transporter 0.0183 0.1853 0.8456
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0193 0.3079
Echinococcus multilocularis solute carrier family 22 0.003 0.0123 0.0563
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0531 0.1973
Loa Loa (eye worm) hypothetical protein 0.0048 0.0322 0.147
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0048 0.0322 0.5141
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0713 0.3252
Echinococcus granulosus calcium dependent protein kinase 0.0061 0.0476 0.2173
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0065 0.0522 0.2381
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0065 0.0522 0.0522
Plasmodium falciparum lysine--tRNA ligase 0.0048 0.0322 0.0322
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0627 1
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0065 0.0522 0.0522
Plasmodium falciparum calcium-dependent protein kinase 5 0.0065 0.0522 0.0522
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0075 0.0627 0.0952
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0507 0.2313
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0531 0.1973
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0065 0.0522 0.2381
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.0123 0.2954
Schistosoma mansoni protein kinase 0.0065 0.0522 0.2381
Schistosoma mansoni sugar transporter 0.003 0.0123 0.0563
Trichomonas vaginalis CAMK family protein kinase 0.0065 0.0522 0.1927
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.0123 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Schistosoma mansoni hypothetical protein 0.0082 0.0713 0.3252
Onchocerca volvulus 0.003 0.0123 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0214 0.0978
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.0123 0.0563
Loa Loa (eye worm) hypothetical protein 0.0082 0.0713 0.3252
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0065 0.0522 0.0793
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.0123 0.0563
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Onchocerca volvulus 0.003 0.0123 0.5
Giardia lamblia Lysyl-tRNA synthetase 0.0048 0.0322 0.5182
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0064 0.0507 0.1855
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.004 0.0241 1
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.0123 0.0123
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Loa Loa (eye worm) hypothetical protein 0.0052 0.0372 0.1695
Plasmodium falciparum calcium-dependent protein kinase 2 0.0065 0.0522 0.0522
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0627 1
Brugia malayi major facilitator superfamily protein 0.003 0.0123 0.0563
Schistosoma mansoni glucose transport protein 0.0214 0.2192 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0345 0.3674 0.3674
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0214 0.2192 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0214 0.0978
Plasmodium falciparum calcium-dependent protein kinase 4 0.0065 0.0522 0.0522
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.2192 1
Plasmodium falciparum hexose transporter 0.0214 0.2192 0.2192
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Onchocerca volvulus 0.003 0.0123 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0531 0.8479
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Onchocerca volvulus 0.003 0.0123 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.0123 0.2954
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0322 1
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.0123 0.0563
Brugia malayi hypothetical protein 0.003 0.0123 0.0563
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0345 0.3674 0.3674
Mycobacterium ulcerans integral membrane transport protein 0.003 0.0123 0.2954
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0214 0.0978
Onchocerca volvulus 0.003 0.0123 0.5
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0531 0.1973
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0064 0.0507 0.2313
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Schistosoma mansoni protein kinase 0.0065 0.0522 0.2381
Echinococcus multilocularis solute carrier family 22 0.003 0.0123 0.0563
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0531 0.8479
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0123 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0531 0.1973
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Trypanosoma brucei glucose transporter 2A 0.0066 0.0531 0.8479
Brugia malayi Cam kinase protein 1 0.0065 0.0522 0.2381
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0048 0.0322 0.5141
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0978
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0065 0.0522 0.2381
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.003 0.0123 0.1968
Mycobacterium ulcerans sugar transporter 0.003 0.0123 0.2954
Echinococcus multilocularis solute carrier family 22 0.003 0.0123 0.0563
Onchocerca volvulus 0.003 0.0123 0.5
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.0081 0.0371
Echinococcus granulosus solute carrier family 22 0.003 0.0123 0.0563
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Trypanosoma cruzi hexose transporter, putative 0.003 0.0123 0.1968
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0522 0.2381
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2192 1
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0531 0.1973
Onchocerca volvulus 0.003 0.0123 0.5
Plasmodium vivax CDK-related protein kinase 6, putative 0.0906 1 1
Echinococcus multilocularis calcium dependent protein kinase 0.0061 0.0476 0.2173
Loa Loa (eye worm) hypothetical protein 0.012 0.1142 0.5211
Echinococcus granulosus solute carrier family 22 0.003 0.0123 0.0563
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0123 0.0563
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0048 0.0322 0.0961
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0531 0.8479
Echinococcus granulosus solute carrier family 22 0.003 0.0123 0.0563
Echinococcus granulosus General substrate transporter 0.0183 0.1853 0.8456
Onchocerca volvulus 0.003 0.0123 0.5
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0627 1
Loa Loa (eye worm) sugar transporter 0.0214 0.2192 1
Loa Loa (eye worm) sugar transporter 0.003 0.0123 0.0563
Brugia malayi major facilitator superfamily protein 0.003 0.0123 0.0563
Echinococcus granulosus lysyl tRNA synthetase 0.0048 0.0322 0.147
Plasmodium vivax lysine--tRNA ligase, putative 0.0048 0.0322 0.0322
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0064 0.0507 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0048 0.0322 0.147
Trypanosoma brucei glucose transporter 1E 0.0066 0.0531 0.8479
Schistosoma mansoni sugar transporter 0.003 0.0123 0.0563
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Plasmodium vivax calcium-dependent protein kinase, putative 0.0065 0.0522 0.0522
Brugia malayi hypothetical protein 0.003 0.0123 0.0563
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0123 0.0563
Leishmania major glucose transporter, lmgt3 0.0066 0.0531 0.8479
Echinococcus multilocularis GPCR, family 2 0.0038 0.0214 0.0978
Leishmania major hypothetical protein, conserved 0.003 0.0123 0.1968
Schistosoma mansoni sugar transporter 0.003 0.0123 0.0563
Brugia malayi hypothetical protein 0.003 0.0123 0.0563
Trypanosoma brucei glucose transporter, putative 0.0066 0.0531 0.8479
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Giardia lamblia Prolyl-tRNA synthetase 0.0064 0.0507 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Schistosoma mansoni hypothetical protein 0.0038 0.0214 0.0978
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0214 0.0978
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0531 0.8479
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0065 0.0522 0.0793
Loa Loa (eye worm) hypothetical protein 0.0064 0.0507 0.2313
Plasmodium vivax hexose transporter 0.0214 0.2192 0.2192
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0065 0.0522 0.2381
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0065 0.0522 0.2381
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0123 0.0563
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.0123 0.5114
Schistosoma mansoni hypothetical protein 0.0038 0.0214 0.0978
Leishmania major glucose transporter, lmgt2 0.0066 0.0531 0.8479
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Echinococcus granulosus GPCR family 2 0.0038 0.0214 0.0978
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0123 0.0563
Toxoplasma gondii sugar transporter ST2 0.003 0.0123 0.0187
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.0322 0.147
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Plasmodium vivax sugar transporter, putative 0.003 0.0123 0.0123
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0064 0.0507 0.2313
Trypanosoma brucei sugar transporter, putative 0.003 0.0123 0.1968
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.0123 0.1968
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0065 0.0522 0.0793
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0507 0.2313
Onchocerca volvulus 0.003 0.0123 0.5
Plasmodium falciparum calcium-dependent protein kinase 1 0.0065 0.0522 0.0522
Leishmania major protein kinase, putative 0.0065 0.0522 0.8329
Loa Loa (eye worm) hypothetical protein 0.0065 0.0522 0.2381
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0064 0.0507 0.2313
Loa Loa (eye worm) hypothetical protein 0.0064 0.0507 0.2313
Schistosoma mansoni hypothetical protein 0.0038 0.0214 0.0978
Onchocerca volvulus 0.003 0.0123 0.5
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0064 0.0507 0.2313
Loa Loa (eye worm) hypothetical protein 0.003 0.0123 0.0563
Schistosoma mansoni sugar transporter 0.003 0.0123 0.0563
Entamoeba histolytica protein kinase, putative 0.0065 0.0522 1
Toxoplasma gondii sugar transporter ST1 0.003 0.0123 0.0187
Onchocerca volvulus 0.003 0.0123 0.5
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0065 0.0522 0.8329
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.1142 0.5211
Echinococcus granulosus solute carrier family 22 0.003 0.0123 0.0563
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.0322 1
Brugia malayi lysyl-tRNA synthetase 0.0048 0.0322 0.147
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0048 0.0322 0.3046
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0256 0.0641
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.1142 0.5211

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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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