Detailed information for compound 1451511

Basic information

Technical information
  • TDR Targets ID: 1451511
  • Name: 2-(4-methylphenoxy)-1-[4-(thiophene-2-carbony l)piperazin-1-yl]ethanone
  • MW: 344.428 | Formula: C18H20N2O3S
  • H donors: 0 H acceptors: 2 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)OCC(=O)N1CCN(CC1)C(=O)c1cccs1
  • InChi: 1S/C18H20N2O3S/c1-14-4-6-15(7-5-14)23-13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3
  • InChiKey: FHOWSMLIXXNDHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-methylphenoxy)-1-[4-[oxo-(2-thienyl)methyl]-1-piperazinyl]ethanone
  • 2-(4-methylphenoxy)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone
  • 1-[(4-methylphenoxy)acetyl]-4-(2-thienylcarbonyl)piperazine
  • MLS000099052
  • SMR000070467
  • STK171610
  • ZINC00199166

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0044 0.0111 0.0212
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.0344 0.0343
Onchocerca volvulus 0.0073 0.0344 0.2867
Schistosoma mansoni neuropeptide receptor 0.0073 0.0344 0.0343
Schistosoma mansoni hypothetical protein 0.0073 0.0344 0.0343
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.018 0.1197 0.1197
Leishmania major carnitine palmitoyltransferase-like protein 0.0044 0.0111 0.0658
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0073 0.0344 0.2025
Echinococcus multilocularis g protein coupled receptor 0.0073 0.0344 0.2025
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0105 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0073 0.0344 0.0653
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.0344 0.2025
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0044 0.0111 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0073 0.0344 0.0343
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0073 0.0344 0.2025
Brugia malayi beta-lactamase family protein 0.0043 0.0105 0.0199
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0031 0.0001 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0073 0.0344 0.0653
Echinococcus multilocularis neuropeptide Y receptor 0.0073 0.0344 0.2025
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0105 0.0614
Echinococcus granulosus neuropeptide receptor 0.0073 0.0344 0.2025
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0105 0.938
Echinococcus multilocularis neuropeptides capa receptor 0.0073 0.0344 0.2025
Echinococcus granulosus g-protein coupled receptor 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0073 0.0344 0.2867
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0001 0.006
Schistosoma mansoni neuropeptide f receptor 76f 0.0073 0.0344 0.0343
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0111 0.0658
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0073 0.0344 0.0343
Echinococcus granulosus orexin receptor type 2 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0044 0.0111 0.0658
Brugia malayi Sodium:neurotransmitter symporter family protein 0.018 0.1197 0.2274
Leishmania major hypothetical protein, conserved 0.0043 0.0105 0.0617
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Schistosoma mansoni biogenic amine (5HT) receptor 0.0073 0.0344 0.0343
Schistosoma mansoni alpha-1 adrenergic receptor 0.0073 0.0344 0.0343
Brugia malayi hypothetical protein 0.0078 0.0385 0.0731
Schistosoma mansoni adenoreceptor 0.0073 0.0344 0.0343
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent transporter 0.018 0.1197 0.1197
Brugia malayi Dopamine receptor protein 1 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus 7tm_1 domain containing protein 0.0073 0.0344 0.2025
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0073 0.0344 0.0343
Brugia malayi G-protein coupled receptor 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Onchocerca volvulus 0.0073 0.0344 0.2867
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus neuropeptide s receptor 0.0073 0.0344 0.2025
Echinococcus granulosus g protein coupled receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0044 0.0111 0.0212
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0044 0.0111 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.0344 0.0343
Echinococcus granulosus G protein coupled receptor 139 0.0073 0.0344 0.2025
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni neuropeptide receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0105 0.0617
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0073 0.0344 0.2025
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0073 0.0344 0.0343
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0073 0.0344 0.0653
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0105 0.0104
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0044 0.0111 0.0212
Schistosoma mansoni biogenic amine receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus dro:myosuppressin receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0426 0.317 0.602
Echinococcus granulosus neuropeptides capa receptor 0.0073 0.0344 0.2025
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0687 0.5265 1
Loa Loa (eye worm) G-protein coupled receptor 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Treponema pallidum sodium- and chloride- dependent transporter 0.018 0.1197 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0073 0.0344 0.2025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0073 0.0344 0.2025
Brugia malayi Choline O-acetyltransferase 0.0044 0.0111 0.0212
Onchocerca volvulus 0.0043 0.0105 0.0868
Onchocerca volvulus 0.0073 0.0344 0.2867
Brugia malayi G-protein coupled receptor 0.0073 0.0344 0.0653
Loa Loa (eye worm) G-protein coupled receptor 0.0073 0.0344 0.0653
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0044 0.0111 0.0212
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni biogenic amine (5HT) receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Brugia malayi Serotonin receptor 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Brugia malayi larval opioid receptor 0.0073 0.0344 0.0653
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0088 0.0458 0.2702
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Brugia malayi AKH receptor 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0073 0.0344 0.2867
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus biogenic amine 5HT receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus serotonin transporter 0.018 0.1197 0.7065
Echinococcus granulosus jun protein 0.01 0.0557 0.3284
Brugia malayi putative neuropeptide receptor NPR1 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Brugia malayi neuropeptide F receptor 0.0073 0.0344 0.0653
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0073 0.0344 0.2025
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0105 0.5
Loa Loa (eye worm) choline O-acetyltransferase 0.0044 0.0111 0.0212
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0426 0.317 0.602
Echinococcus multilocularis dro:myosuppressin receptor 0.0073 0.0344 0.2025
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0242 0.1694 1
Echinococcus multilocularis neuropeptide s receptor 0.0073 0.0344 0.2025
Schistosoma mansoni amine GPCR 0.0073 0.0344 0.0343
Plasmodium falciparum transporter, putative 0.0031 0.0001 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.0001
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0105 0.0617
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.0344 0.2025
Brugia malayi small heat shock protein 0.0687 0.5265 1
Echinococcus multilocularis neuropeptide Y receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Toxoplasma gondii ABC1 family protein 0.0043 0.0105 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0105 0.5
Onchocerca volvulus 0.0078 0.0385 0.3211
Echinococcus multilocularis sex peptide receptor 0.0073 0.0344 0.2025
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0044 0.0111 0.0658
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0105 0.5
Schistosoma mansoni hypothetical protein 0.0073 0.0344 0.0343
Echinococcus granulosus allatostatin A receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0097 0.0535 0.1016
Echinococcus granulosus peptide allatostatin:somatostatin 0.0073 0.0344 0.2025
Onchocerca volvulus Neuropeptide F receptor homolog 0.0073 0.0344 0.2867
Echinococcus granulosus somatostatin receptor 0.0073 0.0344 0.2025
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0073 0.0344 0.0653
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0111 0.0658
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0105 0.5
Loa Loa (eye worm) serotonin transporter b 0.018 0.1197 0.2274
Brugia malayi neuropeptide F receptor 0.0073 0.0344 0.0653
Schistosoma mansoni histamine h1 receptor 0.0073 0.0344 0.0343
Echinococcus granulosus g protein coupled receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus biogenic amine 5HT receptor 0.0073 0.0344 0.2025
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.0344 0.0343
Brugia malayi G protein-coupled receptor 0.0073 0.0344 0.0653
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0073 0.0344 0.2025
Trichomonas vaginalis esterase, putative 0.0043 0.0105 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Plasmodium vivax amine transporter, putative 0.0031 0.0001 0.006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Brugia malayi putative neuropeptide receptor 0.0073 0.0344 0.0653
Echinococcus granulosus tachykinin peptides receptor 99D 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0044 0.0111 0.0926
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1983 1
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0044 0.0111 0.0658
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Loa Loa (eye worm) neuropeptide F receptor 0.0073 0.0344 0.0653
Schistosoma mansoni neuropeptide receptor 0.0073 0.0344 0.0343
Echinococcus multilocularis serotonin receptor 0.0073 0.0344 0.2025
Echinococcus multilocularis fmrfamide receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni neuropeptide F-like receptor 0.0073 0.0344 0.0343
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0073 0.0344 0.0343
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Echinococcus multilocularis G protein coupled receptor 139 0.0073 0.0344 0.2025
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0073 0.0344 0.2025
Mycobacterium ulcerans hypothetical protein 0.0043 0.0105 0.5
Echinococcus granulosus sex peptide receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0073 0.0344 0.0653
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0073 0.0344 0.2025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Echinococcus multilocularis G-protein coupled receptor, putative 0.0073 0.0344 0.2025
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0043 0.0105 0.0868
Onchocerca volvulus 0.0044 0.0111 0.0926
Echinococcus multilocularis neuropeptide receptor 0.0073 0.0344 0.2025
Echinococcus multilocularis neuropeptides capa receptor 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0073 0.0344 0.2867
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.0344 0.2025
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0073 0.0344 0.2025
Schistosoma mansoni hypothetical protein 0.0081 0.0407 0.0406
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0031 0.0001 0.0001
Brugia malayi RE15519p 0.0073 0.0344 0.0653
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus granulosus choline O acetyltransferase 0.0044 0.0111 0.0654
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni neuropeptide F-like receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) norepinephrine transporter 0.018 0.1197 0.2274
Plasmodium falciparum amino acid transporter, putative 0.0031 0.0001 1
Brugia malayi beta-lactamase family protein 0.0043 0.0105 0.0199
Brugia malayi G protein-coupled receptor F59B2.13 0.0073 0.0344 0.0653
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0105 0.0104
Echinococcus granulosus 7TM GPCR rhodopsin 0.0073 0.0344 0.2025
Echinococcus granulosus g protein coupled receptor 0.0073 0.0344 0.2025
Schistosoma mansoni opsin-like receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni biogenic amine receptor 0.0073 0.0344 0.0343
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Schistosoma mansoni choline o-acyltransferase 0.0044 0.0111 0.0111
Brugia malayi ORL1-like opioid receptor 0.0073 0.0344 0.0653
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.01 0.0557 0.3284
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.0344 0.2025
Brugia malayi Choline O-acetyltransferase 0.0044 0.0111 0.0212
Schistosoma mansoni opsin-like receptor 0.0073 0.0344 0.0343
Onchocerca volvulus 0.0073 0.0344 0.2867
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Echinococcus multilocularis orexin receptor type 2 0.0073 0.0344 0.2025
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus neuropeptide FF receptor 2 0.0073 0.0344 0.2025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0242 0.1694 1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0044 0.0111 0.0658
Onchocerca volvulus 0.0073 0.0344 0.2867
Loa Loa (eye worm) hypothetical protein 0.018 0.1197 0.2274
Echinococcus multilocularis serotonin receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0073 0.0344 0.0653
Echinococcus granulosus hypothetical protein 0.0073 0.0344 0.2025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Toxoplasma gondii hypothetical protein 0.0031 0.0001 0.006
Echinococcus multilocularis somatostatin receptor 0.0073 0.0344 0.2025
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus neuropeptide Y receptor 0.0073 0.0344 0.2025
Mycobacterium leprae Probable lipase LipE 0.0043 0.0105 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0242 0.1694 1
Echinococcus multilocularis allatostatin A receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) beta-lactamase 0.0043 0.0105 0.0199
Echinococcus multilocularis neuropeptide receptor 0.0073 0.0344 0.2025
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0044 0.0111 0.0654
Brugia malayi Dopamine receptor protein 2 0.0073 0.0344 0.0653
Brugia malayi Dopamine receptor 0.0073 0.0344 0.0653
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.006
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0001
Echinococcus multilocularis choline O acetyltransferase 0.0044 0.0111 0.0654
Onchocerca volvulus 0.0073 0.0344 0.2867
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Schistosoma mansoni choline o-acyltransferase 0.0044 0.0111 0.0111
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.006
Echinococcus multilocularis jun protein 0.01 0.0557 0.3284
Schistosoma mansoni neuropeptide receptor 0.0073 0.0344 0.0343
Brugia malayi bZIP transcription factor family protein 0.01 0.0557 0.1058
Echinococcus multilocularis neuropeptide FF receptor 2 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0073 0.0344 0.0343
Echinococcus granulosus neuropeptide Y receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.018 0.1197 0.2274
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0073 0.0344 0.0653
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) solute carrier family 6 member 4 0.018 0.1197 0.2274
Onchocerca volvulus 0.0044 0.0111 0.0926
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.0001
Loa Loa (eye worm) melatonin receptor type 1A 0.0073 0.0344 0.0653
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0044 0.0111 0.0658
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0073 0.0344 0.2025
Echinococcus multilocularis neuropeptide receptor A26 0.0073 0.0344 0.2025
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0242 0.1694 1
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.0344 0.2025
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0073 0.0344 0.0343
Echinococcus multilocularis g protein coupled receptor 0.0073 0.0344 0.2025
Echinococcus granulosus neuropeptide receptor 0.0073 0.0344 0.2025
Echinococcus granulosus serotonin receptor 0.0073 0.0344 0.2025
Schistosoma mansoni growth hormone secretagogue receptor 0.0073 0.0344 0.0343
Echinococcus granulosus neuropeptide receptor A26 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0073 0.0344 0.2867
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus multilocularis g protein coupled receptor 0.0073 0.0344 0.2025
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) TYRA-2 protein 0.0073 0.0344 0.0653
Schistosoma mansoni amine GPCR 0.0073 0.0344 0.0343
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0044 0.0111 0.0926
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0073 0.0344 0.0343
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0073 0.0344 0.2025
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0105 0.5
Brugia malayi hypothetical protein 0.0031 0.0001 0.0001
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0044 0.0111 0.0654
Brugia malayi Melatonin receptor type 1A 0.0073 0.0344 0.0653
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Brugia malayi Serotonin receptor 0.0073 0.0344 0.0653
Echinococcus multilocularis fmrfamide receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Onchocerca volvulus 0.0043 0.0105 0.0868
Onchocerca volvulus 0.018 0.1197 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Schistosoma mansoni jun-related protein 0.0081 0.0407 0.0406
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0105 0.0614
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0073 0.0344 0.2025
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.006
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.01 0.0557 0.3284
Brugia malayi hypothetical protein 0.0073 0.0344 0.0653
Brugia malayi GnHR receptor homolog 0.0073 0.0344 0.0653
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0105 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0111 0.0658
Schistosoma mansoni hypothetical protein 0.0073 0.0344 0.0343
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0044 0.0111 1
Schistosoma mansoni myosin xvIII 0.0073 0.0344 0.0343
Brugia malayi sulfakinin receptor protein 0.0073 0.0344 0.0653
Schistosoma mansoni biogenic amine receptor 0.0073 0.0344 0.0343
Echinococcus granulosus alpha 1A adrenergic receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Echinococcus multilocularis g-protein coupled receptor 0.0073 0.0344 0.2025
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Loa Loa (eye worm) hypothetical protein 0.0073 0.0344 0.0653
Onchocerca volvulus 0.0073 0.0344 0.2867
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0073 0.0344 0.2025
Echinococcus granulosus fmrfamide receptor 0.0073 0.0344 0.2025
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0111 0.0658
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0044 0.0111 0.0658
Schistosoma mansoni amine GPCR 0.0073 0.0344 0.0343
Brugia malayi beta-lactamase 0.0043 0.0105 0.0199
Onchocerca volvulus 0.0073 0.0344 0.2867
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0105 0.0199
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.0001
Mycobacterium ulcerans beta-lactamase 0.0043 0.0105 0.5
Echinococcus multilocularis serotonin transporter 0.018 0.1197 0.7065
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0044 0.0111 0.0212
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0111 0.0658
Loa Loa (eye worm) hypothetical protein 0.018 0.1197 0.2274
Schistosoma mansoni opsin-like receptor 0.0073 0.0344 0.0343
Echinococcus granulosus nuclear factor of activated T cells 5 0.0088 0.0458 0.2702
Brugia malayi follicle stimulating hormone receptor 0.0073 0.0344 0.0653
Echinococcus granulosus neuropeptides capa receptor 0.0073 0.0344 0.2025
Schistosoma mansoni amine GPCR 0.0073 0.0344 0.0343
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0073 0.0344 0.0653
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0044 0.0111 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0073 0.0344 0.2025
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0242 0.1694 1
Toxoplasma gondii hypothetical protein 0.0031 0.0001 0.006
Mycobacterium ulcerans lipase LipD 0.0043 0.0105 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0073 0.0344 0.0343
Loa Loa (eye worm) neuropeptide F receptor 0.0073 0.0344 0.0653
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Loa Loa (eye worm) hypothetical protein 0.0043 0.0105 0.0199
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0073 0.0344 0.0343
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.0344 0.0343
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0105 0.0199
Leishmania major carnitine/choline acetyltransferase, putative 0.0044 0.0111 0.0658
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0073 0.0344 0.0653
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 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
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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