Detailed information for compound 1437334

Basic information

Technical information
  • TDR Targets ID: 1437334
  • Name: ethyl 7-[[2-(3,5-dimethylpiperidin-1-yl)acety l]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carbo xylate
  • MW: 401.456 | Formula: C21H27N3O5
  • H donors: 2 H acceptors: 2 LogP: 3.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)CC(C1)C)cc1c(c2)OCO1
  • InChi: 1S/C21H27N3O5/c1-4-27-21(26)20-19(14-6-16-17(29-11-28-16)7-15(14)22-20)23-18(25)10-24-8-12(2)5-13(3)9-24/h6-7,12-13,22H,4-5,8-11H2,1-3H3,(H,23,25)
  • InChiKey: BYSNRMANZFVQJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 7-[[2-(3,5-dimethyl-1-piperidyl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
  • 7-[[2-(3,5-dimethyl-1-piperidinyl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester
  • 7-[[2-(3,5-dimethyl-1-piperidyl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester
  • ethyl 7-[2-(3,5-dimethylpiperidin-1-yl)ethanoylamino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
  • MLS000036825
  • SMR000042392
  • STOCK3S-78084

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Brugia malayi Isocitrate dehydrogenase 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
Toxoplasma gondii isocitrate dehydrogenase 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 donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Brugia malayi sulfakinin receptor protein 0.0071 0.4258 0.4121
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0235 0.0005
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Brugia malayi larval opioid receptor 0.0071 0.4258 0.4121
Brugia malayi Dopamine receptor protein 2 0.0071 0.4258 0.4121
Schistosoma mansoni biogenic amine receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni opsin-like receptor 0.0071 0.4258 0.8976
Echinococcus granulosus tachykinin peptides receptor 99D 0.0071 0.4258 0.8976
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0071 0.4258 0.4121
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0235 0.0005
Onchocerca volvulus 0.0071 0.4258 0.5
Onchocerca volvulus 0.0071 0.4258 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis G protein coupled receptor 139 0.0071 0.4258 0.8976
Schistosoma mansoni growth hormone secretagogue receptor 0.0071 0.4258 0.8976
Brugia malayi AKH receptor 0.0071 0.4258 0.4121
Loa Loa (eye worm) G-protein coupled receptor 0.0071 0.4258 0.4121
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis neuropeptide receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0071 0.4258 0.8976
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) neuropeptide F receptor 0.0071 0.4258 0.4121
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis G-protein coupled receptor, putative 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0071 0.4258 0.8976
Leishmania major DNA polymerase kappa, putative 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis dna polymerase eta 0.0023 0.0565 0.0741
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis neuropeptide Y receptor 0.0071 0.4258 0.8976
Echinococcus granulosus g-protein coupled receptor 0.0071 0.4258 0.8976
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0071 0.4258 0.8976
Brugia malayi TAR-binding protein 0.0076 0.4717 0.4591
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1958 0.1767
Loa Loa (eye worm) melatonin receptor type 1A 0.0071 0.4258 0.4121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0235 0.0005
Echinococcus multilocularis g protein coupled receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0565 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi G protein-coupled receptor 0.0071 0.4258 0.4121
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0071 0.4258 0.8976
Brugia malayi RNA binding protein 0.0076 0.4717 0.4591
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus neuropeptides capa receptor 0.0071 0.4258 0.8976
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0565 0.0741
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis serotonin receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus hypothetical protein 0.0071 0.4258 0.8976
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0235 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3445 0.3289
Echinococcus granulosus fmrfamide receptor 0.0071 0.4258 0.8976
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0565 1
Echinococcus multilocularis fmrfamide receptor 0.0071 0.4258 0.8976
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0071 0.4258 0.4121
Onchocerca volvulus 0.0071 0.4258 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4717 0.4591
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0071 0.4258 0.8976
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis neuropeptides capa receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0235 0.0002
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus granulosus allatostatin A receptor 0.0071 0.4258 0.8976
Echinococcus granulosus dna polymerase eta 0.0023 0.0565 0.0741
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0235 0.4157
Echinococcus granulosus biogenic amine 5HT receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis fmrfamide receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0235 0.0005
Schistosoma mansoni neuropeptide receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4717 0.4591
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4717 1
Echinococcus multilocularis neuropeptide Y receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0071 0.4258 0.4121
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4717 1
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi ORL1-like opioid receptor 0.0071 0.4258 0.4121
Brugia malayi Tachykinin-like peptides receptor 99D 0.0071 0.4258 0.4121
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0071 0.4258 0.8976
Brugia malayi GnHR receptor homolog 0.0071 0.4258 0.4121
Echinococcus granulosus peptide allatostatin:somatostatin 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi G protein-coupled receptor F59B2.13 0.0071 0.4258 0.4121
Brugia malayi Melatonin receptor type 1A 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0071 0.4258 0.8976
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Onchocerca volvulus 0.0071 0.4258 0.5
Onchocerca volvulus 0.0071 0.4258 0.5
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0235 0.0002
Echinococcus granulosus neuropeptide s receptor 0.0071 0.4258 0.8976
Echinococcus granulosus tm gpcr rhodopsin 0.0071 0.4258 0.8976
Echinococcus granulosus biogenic amine 5HT receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis g protein coupled receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0565 0.0741
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni alpha-1 adrenergic receptor 0.0071 0.4258 0.8976
Brugia malayi follicle stimulating hormone receptor 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4717 0.4591
Giardia lamblia DINP protein human, muc B family 0.0023 0.0565 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0071 0.4258 0.4121
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni amine GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis allatostatin A receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0071 0.4258 0.8976
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3445 0.3289
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0235 0.0005
Brugia malayi isocitrate dehydrogenase 0.0019 0.0235 0.0002
Echinococcus granulosus neuropeptides capa receptor 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.4258 0.8976
Onchocerca volvulus Neuropeptide F receptor homolog 0.0071 0.4258 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Brugia malayi Serotonin receptor 0.0071 0.4258 0.4121
Onchocerca volvulus 0.0071 0.4258 0.5
Brugia malayi G-protein coupled receptor 0.0071 0.4258 0.4121
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4717 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0071 0.4258 0.8976
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis somatostatin receptor 0.0071 0.4258 0.8976
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis dro:myosuppressin receptor 0.0071 0.4258 0.8976
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0565 0.5
Schistosoma mansoni adenoreceptor 0.0071 0.4258 0.8976
Schistosoma mansoni neuropeptide F-like receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0071 0.4258 0.8976
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Schistosoma mansoni opsin-like receptor 0.0071 0.4258 0.8976
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine (5HT) receptor 0.0071 0.4258 0.8976
Brugia malayi Dopamine receptor protein 1 0.0071 0.4258 0.4121
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4717 1
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0565 0.0741
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis sex peptide receptor 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus orexin receptor type 2 0.0071 0.4258 0.8976
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0235 0.0005
Brugia malayi Serotonin receptor 0.0071 0.4258 0.4121
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0565 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Schistosoma mansoni DNA polymerase eta 0.0023 0.0565 0.0741
Echinococcus granulosus neuropeptide receptor 0.0071 0.4258 0.8976
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0071 0.4258 0.8976
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3445 0.3289
Schistosoma mansoni amine GPCR 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis orexin receptor type 2 0.0071 0.4258 0.8976
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4717 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0071 0.4258 0.8976
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0565 0.0741
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0071 0.4258 0.4121
Brugia malayi Dopamine receptor 0.0071 0.4258 0.4121
Brugia malayi putative neuropeptide receptor NPR1 0.0071 0.4258 0.4121
Loa Loa (eye worm) neuropeptide F receptor 0.0071 0.4258 0.4121
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0071 0.4258 0.4121
Loa Loa (eye worm) TYRA-2 protein 0.0071 0.4258 0.4121
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0565 0.5
Schistosoma mansoni myosin xvIII 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4717 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0235 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.4258 0.8976
Echinococcus multilocularis neuropeptides capa receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0565 0.5
Echinococcus granulosus serotonin receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0565 0.034
Echinococcus granulosus 7tm_1 domain containing protein 0.0071 0.4258 0.8976
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Schistosoma mansoni neuropeptide F-like receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Echinococcus multilocularis serotonin receptor 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0071 0.4258 0.8976
Echinococcus granulosus neuropeptide Y receptor 0.0071 0.4258 0.8976
Schistosoma mansoni opsin-like receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis g protein coupled receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0041 0.1958 0.1767
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0565 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis neuropeptide receptor 0.0071 0.4258 0.8976
Schistosoma mansoni neuropeptide receptor 0.0071 0.4258 0.8976
Echinococcus granulosus alpha 1A adrenergic receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus tar DNA binding protein 0.0076 0.4717 1
Trypanosoma brucei unspecified product 0.0023 0.0565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Echinococcus granulosus g protein coupled receptor 0.0071 0.4258 0.8976
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0071 0.4258 0.5
Schistosoma mansoni neuropeptide receptor 0.0071 0.4258 0.8976
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0565 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0071 0.4258 0.8976
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0235 0.0005
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0071 0.4258 0.8976
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3445 0.3289
Schistosoma mansoni histamine h1 receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Schistosoma mansoni amine GPCR 0.0071 0.4258 0.8976
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0565 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0235 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0071 0.4258 0.8976
Echinococcus granulosus tm gpcr rhodopsin 0.0071 0.4258 0.8976
Leishmania major DNA polymerase eta, putative 0.0023 0.0565 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0071 0.4258 0.4121
Brugia malayi neuropeptide F receptor 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0023 0.0565 0.034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis neuropeptide FF receptor 2 0.0071 0.4258 0.8976
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0071 0.4258 0.8976
Echinococcus granulosus sex peptide receptor 0.0071 0.4258 0.8976
Brugia malayi hypothetical protein 0.0071 0.4258 0.4121
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0565 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0235 0.4157
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0565 0.0741
Brugia malayi G-protein coupled receptor 0.0071 0.4258 0.4121
Schistosoma mansoni neuropeptide f receptor 76f 0.0071 0.4258 0.8976
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) G-protein coupled receptor 0.0071 0.4258 0.4121
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Echinococcus granulosus somatostatin receptor 0.0071 0.4258 0.8976
Schistosoma mansoni amine GPCR 0.0071 0.4258 0.8976
Brugia malayi neuropeptide F receptor 0.0071 0.4258 0.4121
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.4258 0.8976
Echinococcus granulosus g protein coupled receptor 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0071 0.4258 0.8976
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0565 0.034
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Schistosoma mansoni hypothetical protein 0.0041 0.1958 0.3848
Echinococcus multilocularis rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus multilocularis neuropeptide receptor A26 0.0071 0.4258 0.8976
Echinococcus granulosus g protein coupled receptor 0.0071 0.4258 0.8976
Brugia malayi RE15519p 0.0071 0.4258 0.4121
Echinococcus granulosus dro:myosuppressin receptor 0.0071 0.4258 0.8976
Echinococcus granulosus G protein coupled receptor 139 0.0071 0.4258 0.8976
Schistosoma mansoni hypothetical protein 0.0071 0.4258 0.8976
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0071 0.4258 0.4121
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0565 1
Brugia malayi putative neuropeptide receptor 0.0071 0.4258 0.4121
Schistosoma mansoni biogenic amine receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0235 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0565 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0565 0.034
Schistosoma mansoni amine GPCR 0.0071 0.4258 0.8976
Echinococcus granulosus rhodopsin orphan GPCR 0.0071 0.4258 0.8976
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Echinococcus multilocularis g-protein coupled receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Schistosoma mansoni neuropeptide receptor 0.0071 0.4258 0.8976
Onchocerca volvulus 0.0071 0.4258 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0071 0.4258 0.8976
Loa Loa (eye worm) RNA binding protein 0.0076 0.4717 0.4591
Echinococcus granulosus neuropeptide receptor 0.0071 0.4258 0.8976
Schistosoma mansoni biogenic amine (5HT) receptor 0.0071 0.4258 0.8976
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0071 0.4258 0.8976
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0565 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0565 0.0741
Schistosoma mansoni hypothetical protein 0.0071 0.4258 0.8976
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0565 1
Schistosoma mansoni hypothetical protein 0.0071 0.4258 0.8976
Echinococcus granulosus neuropeptide Y receptor 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0565 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0071 0.4258 0.8976
Loa Loa (eye worm) hypothetical protein 0.0071 0.4258 0.4121
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0071 0.4258 0.4121
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0565 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 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 (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.3225 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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