Detailed information for compound 1363221

Basic information

Technical information
  • TDR Targets ID: 1363221
  • Name: ethyl 2-[[2-[5-(4-methylsulfanylphenyl)tetraz ol-2-yl]acetyl]amino]-3-phenylpropanoate
  • MW: 425.504 | Formula: C21H23N5O3S
  • H donors: 1 H acceptors: 5 LogP: 4.02 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(Cc1ccccc1)NC(=O)Cn1nnc(n1)c1ccc(cc1)SC
  • InChi: 1S/C21H23N5O3S/c1-3-29-21(28)18(13-15-7-5-4-6-8-15)22-19(27)14-26-24-20(23-25-26)16-9-11-17(30-2)12-10-16/h4-12,18H,3,13-14H2,1-2H3,(H,22,27)
  • InChiKey: YDNQXIPKFRXTGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetyl]amino]-3-phenyl-propanoate
  • 2-[[2-[5-[4-(methylthio)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester
  • 2-[[2-[5-[4-(methylthio)phenyl]tetrazol-2-yl]acetyl]amino]-3-phenyl-propionic acid ethyl ester
  • ethyl 2-[2-[5-(4-methylsulfanylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]-3-phenyl-propanoate
  • MLS000519591
  • SMR000130009
  • A3139/0132732

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta 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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Schistosoma mansoni neuropeptide receptor 0.0081 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0081 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0081 1 1
Brugia malayi ORL1-like opioid receptor 0.0081 1 1
Schistosoma mansoni opsin-like receptor 0.0081 1 1
Brugia malayi Dopamine receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1238 0.1238
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus multilocularis orexin receptor type 2 0.0081 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0081 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0081 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1238 0.2319
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus g protein coupled receptor 0.0081 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi RE15519p 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni opsin-like receptor 0.0081 1 1
Echinococcus multilocularis serotonin receptor 0.0081 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0081 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0081 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0081 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Brugia malayi hypothetical protein 0.003 0.1238 0.1238
Brugia malayi sulfakinin receptor protein 0.0081 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0081 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0081 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni biogenic amine receptor 0.0081 1 1
Echinococcus multilocularis sex peptide receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0081 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0081 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0081 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0081 1 1
Echinococcus multilocularis neuropeptide receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni amine GPCR 0.0081 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.2549 0.4775
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.6401 0.6401
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Schistosoma mansoni amine GPCR 0.0081 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0081 1 1
Echinococcus multilocularis fmrfamide receptor 0.0081 1 1
Brugia malayi Serotonin receptor 0.0081 1 1
Schistosoma mansoni myosin xvIII 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni hypothetical protein 0.0081 1 1
Echinococcus multilocularis g protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Echinococcus multilocularis neuropeptide receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Onchocerca volvulus 0.0081 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0081 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0081 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Echinococcus multilocularis allatostatin A receptor 0.0081 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0081 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0081 1 1
Echinococcus granulosus neuropeptide receptor 0.0081 1 1
Schistosoma mansoni biogenic amine receptor 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0081 1 1
Echinococcus granulosus g protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.3096 0.3096
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0081 1 1
Echinococcus granulosus dna polymerase eta 0.0054 0.5337 0.5337
Leishmania major DNA polymerase eta, putative 0.0054 0.5337 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0081 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi larval opioid receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0081 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0081 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi AKH receptor 0.0081 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1238 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1238 0.5
Echinococcus multilocularis somatostatin receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0081 1 0.5
Schistosoma mansoni hypothetical protein 0.0081 1 1
Schistosoma mansoni adenoreceptor 0.0081 1 1
Echinococcus granulosus g-protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0081 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus g protein coupled receptor 0.0081 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.5337 0.5337
Loa Loa (eye worm) melatonin receptor type 1A 0.0081 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0081 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.6401 0.6401
Echinococcus multilocularis dna polymerase eta 0.0054 0.5337 0.5337
Echinococcus multilocularis neuropeptides capa receptor 0.0081 1 1
Echinococcus granulosus hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0081 1 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.5337 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus granulosus sex peptide receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0081 1 1
Echinococcus granulosus orexin receptor type 2 0.0081 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Brugia malayi Melatonin receptor type 1A 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0081 1 1
Brugia malayi neuropeptide F receptor 0.0081 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0081 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.6401 0.6401
Schistosoma mansoni alpha-1 adrenergic receptor 0.0081 1 1
Leishmania major hypothetical protein, conserved 0.003 0.1238 0.2319
Brugia malayi follicle stimulating hormone receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus allatostatin A receptor 0.0081 1 1
Schistosoma mansoni amine GPCR 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Brugia malayi G-protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0081 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1238 0.2319
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.3096 0.3096
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus serotonin receptor 0.0081 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0081 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0081 1 1
Brugia malayi Serotonin receptor 0.0081 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0081 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0081 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0081 1 1
Schistosoma mansoni histamine h1 receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0081 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0081 1 1
Schistosoma mansoni amine GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.2549 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Schistosoma mansoni hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.5337 0.5337
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0081 1 1
Schistosoma mansoni neuropeptide receptor 0.0081 1 1
Echinococcus multilocularis serotonin receptor 0.0081 1 1
Brugia malayi G protein-coupled receptor 0.0081 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0081 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0081 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0081 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0081 1 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.5337 0.5337
Brugia malayi G protein-coupled receptor F59B2.13 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.6401 0.6401
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi putative neuropeptide receptor 0.0081 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0081 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0081 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0081 1 1
Schistosoma mansoni amine GPCR 0.0081 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0081 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Schistosoma mansoni opsin-like receptor 0.0081 1 1
Schistosoma mansoni neuropeptide receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0081 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0081 1 1
Echinococcus multilocularis fmrfamide receptor 0.0081 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0081 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0081 1 1
Schistosoma mansoni neuropeptide receptor 0.0081 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0081 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Onchocerca volvulus 0.0081 1 0.5
Onchocerca volvulus 0.0081 1 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0081 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0081 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.5337 1
Echinococcus granulosus neuropeptide s receptor 0.0081 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni biogenic amine receptor 0.0081 1 1
Brugia malayi neuropeptide F receptor 0.0081 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0081 1 1
Brugia malayi GnHR receptor homolog 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi G-protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0081 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0081 1 1
Brugia malayi Dopamine receptor protein 2 0.0081 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0081 1 1
Brugia malayi Dopamine receptor protein 1 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0081 1 1
Schistosoma mansoni hypothetical protein 0.0081 1 1
Onchocerca volvulus 0.0081 1 0.5
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus granulosus somatostatin receptor 0.0081 1 1
Brugia malayi hypothetical protein 0.0081 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0081 1 1
Echinococcus granulosus fmrfamide receptor 0.0081 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0081 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0081 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1238 0.2319
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Leishmania major DNA polymerase eta, putative 0.0038 0.2549 0.4775
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0081 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0081 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0081 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1238 0.5
Echinococcus multilocularis g protein coupled receptor 0.0081 1 1
Echinococcus multilocularis g protein coupled receptor 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.231 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.5221 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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