Detailed information for compound 1268267

Basic information

Technical information
  • TDR Targets ID: 1268267
  • Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[3-(triflu oromethyl)benzoyl]piperidin-1-yl]methanone
  • MW: 391.387 | Formula: C20H20F3N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)C(F)(F)F)C1CCCN(C1)C(=O)c1n[nH]c(c1)C1CC1
  • InChi: 1S/C20H20F3N3O2/c21-20(22,23)15-5-1-3-13(9-15)18(27)14-4-2-8-26(11-14)19(28)17-10-16(24-25-17)12-6-7-12/h1,3,5,9-10,12,14H,2,4,6-8,11H2,(H,24,25)
  • InChiKey: CWTPTOLZBHQODV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)benzoyl]-1-piperidyl]methanone
  • (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methanone
  • (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[3-(trifluoromethyl)phenyl]carbonylpiperidin-1-yl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration 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
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis g protein coupled receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni neuropeptide F-like receptor 0.0021 0.1824 0.2034
Schistosoma mansoni amine GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.1824 0.2034
Brugia malayi sulfakinin receptor protein 0.0021 0.1824 0.1824
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0021 0.1824 0.2034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.1824 0.2034
Onchocerca volvulus Neuropeptide F receptor homolog 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.1824 0.2034
Brugia malayi AKH receptor 0.0021 0.1824 0.1824
Echinococcus multilocularis orexin receptor type 2 0.0021 0.1824 0.2034
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.6088 0.5
Brugia malayi GnHR receptor homolog 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.1824 0.1824
Echinococcus multilocularis G-protein coupled receptor, putative 0.0021 0.1824 0.2034
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Onchocerca volvulus 0.0021 0.1824 1
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis neuropeptide FF receptor 2 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1426 0.1426
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni neuropeptide receptor 0.0021 0.1824 0.2034
Echinococcus granulosus peptide allatostatin:somatostatin 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.1824 0.2034
Schistosoma mansoni hypothetical protein 0.0021 0.1824 0.2034
Echinococcus granulosus hypothetical protein 0.0021 0.1824 0.2034
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.1824 0.1824
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0021 0.1824 0.2034
Schistosoma mansoni biogenic amine receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.1824 0.2034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8966 1
Brugia malayi G protein-coupled receptor 0.0021 0.1824 0.1824
Brugia malayi ORL1-like opioid receptor 0.0021 0.1824 0.1824
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.6088 0.679
Brugia malayi RE15519p 0.0021 0.1824 0.1824
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.1824 0.1824
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.6088 0.6088
Schistosoma mansoni amine GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.1824 0.2034
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis serotonin receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0021 0.1824 0.1824
Echinococcus multilocularis neuropeptide receptor A26 0.0021 0.1824 0.2034
Schistosoma mansoni myosin xvIII 0.0021 0.1824 0.2034
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni neuropeptide receptor 0.0021 0.1824 0.2034
Echinococcus granulosus serotonin receptor 0.0021 0.1824 0.2034
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni opsin-like receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.1824 0.2034
Echinococcus granulosus somatostatin receptor 0.0021 0.1824 0.2034
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis somatostatin receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis dro:myosuppressin receptor 0.0021 0.1824 0.2034
Echinococcus granulosus g protein coupled receptor 0.0021 0.1824 0.2034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8966 1
Echinococcus granulosus neuropeptide s receptor 0.0021 0.1824 0.2034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1426 0.159
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.6088 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.1824 0.1824
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0021 0.1824 0.1824
Schistosoma mansoni hypothetical protein 0.0021 0.1824 0.2034
Brugia malayi Augmenter of liver regeneration 0.0041 0.6088 0.6088
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis g protein coupled receptor 0.0021 0.1824 0.2034
Brugia malayi Serotonin receptor 0.0021 0.1824 0.1824
Schistosoma mansoni biogenic amine (5HT) receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus G protein coupled receptor 139 0.0021 0.1824 0.2034
Echinococcus granulosus orexin receptor type 2 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.6088 0.679
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus sex peptide receptor 0.0021 0.1824 0.2034
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis neuropeptide receptor 0.0021 0.1824 0.2034
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.159
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.1824 0.2034
Schistosoma mansoni hypothetical protein 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1426 0.1426
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus 7tm_1 domain containing protein 0.0021 0.1824 0.2034
Brugia malayi putative neuropeptide receptor 0.0021 0.1824 0.1824
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0021 0.1824 0.1824
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0041 0.6031 0.6031
Schistosoma mansoni opsin-like receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8966 1
Echinococcus granulosus neuropeptide receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0021 0.1824 0.2034
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0021 0.1824 0.2034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.159
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0021 0.1824 0.2034
Brugia malayi Melatonin receptor type 1A 0.0021 0.1824 0.1824
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0021 0.1824 0.1824
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8966 1
Schistosoma mansoni amine GPCR 0.0021 0.1824 0.2034
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.1824 0.2034
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8966 0.8966
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.6088 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8966 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus GPCR family 2 0.0019 0.1426 0.159
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0021 0.1824 0.2034
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0021 0.1824 0.2034
Brugia malayi G protein-coupled receptor F59B2.13 0.0021 0.1824 0.1824
Echinococcus granulosus neuropeptide FF receptor 2 0.0021 0.1824 0.2034
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1426 0.159
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8966 0.8966
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni amine GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis sex peptide receptor 0.0021 0.1824 0.2034
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.6031 0.6031
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.6088 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1426 0.159
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni amine GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0021 0.1824 0.2034
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.1824 0.2034
Schistosoma mansoni hypothetical protein 0.0041 0.6031 0.6727
Brugia malayi putative neuropeptide receptor NPR1 0.0021 0.1824 0.1824
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Schistosoma mansoni neuropeptide F-like receptor 0.0021 0.1824 0.2034
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1426 0.1426
Echinococcus multilocularis G protein coupled receptor 139 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis neuropeptide receptor 0.0021 0.1824 0.2034
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni opsin-like receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8966 1
Echinococcus multilocularis allatostatin A receptor 0.0021 0.1824 0.2034
Schistosoma mansoni biogenic amine receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis g protein coupled receptor 0.0021 0.1824 0.2034
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0021 0.1824 0.1824
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi neuropeptide F receptor 0.0021 0.1824 0.1824
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0021 0.1824 0.2034
Echinococcus multilocularis neuropeptide s receptor 0.0021 0.1824 0.2034
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus g protein coupled receptor 0.0021 0.1824 0.2034
Brugia malayi G-protein coupled receptor 0.0021 0.1824 0.1824
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus allatostatin A receptor 0.0021 0.1824 0.2034
Schistosoma mansoni alpha-1 adrenergic receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus 0.0021 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Brugia malayi larval opioid receptor 0.0021 0.1824 0.1824
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0021 0.1824 0.1824
Schistosoma mansoni neuropeptide receptor 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni neuropeptide receptor 0.0021 0.1824 0.2034
Brugia malayi neuropeptide F receptor 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.159
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0021 0.1824 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0021 0.1824 0.2034
Brugia malayi G-protein coupled receptor 0.0021 0.1824 0.1824
Echinococcus granulosus tachykinin peptides receptor 99D 0.0021 0.1824 0.2034
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0021 0.1824 0.2034
Echinococcus multilocularis serotonin receptor 0.0021 0.1824 0.2034
Echinococcus granulosus g protein coupled receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) melatonin receptor type 1A 0.0021 0.1824 0.1824
Echinococcus granulosus neuropeptide receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi Dopamine receptor protein 1 0.0021 0.1824 0.1824
Echinococcus granulosus alpha 1A adrenergic receptor 0.0021 0.1824 0.2034
Schistosoma mansoni hypothetical protein 0.0019 0.1426 0.159
Schistosoma mansoni hypothetical protein 0.0021 0.1824 0.2034
Echinococcus multilocularis GPCR, family 2 0.0019 0.1426 0.159
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis fmrfamide receptor 0.0021 0.1824 0.2034
Echinococcus multilocularis fmrfamide receptor 0.0021 0.1824 0.2034
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.6088 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0021 0.1824 0.2034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Schistosoma mansoni biogenic amine receptor 0.0021 0.1824 0.2034
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.1824 0.2034
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.1824 0.2034
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.6088 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni histamine h1 receptor 0.0021 0.1824 0.2034
Echinococcus granulosus fmrfamide receptor 0.0021 0.1824 0.2034
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.6088 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0021 0.1824 0.2034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8966 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.1824 0.2034
Loa Loa (eye worm) TYRA-2 protein 0.0021 0.1824 0.1824
Leishmania major hypothetical protein, conserved 0.0041 0.6088 0.5
Schistosoma mansoni adenoreceptor 0.0021 0.1824 0.2034
Brugia malayi Dopamine receptor 0.0021 0.1824 0.1824
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Brugia malayi Tachykinin-like peptides receptor 99D 0.0021 0.1824 0.1824
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.1824 0.2034
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.1824 0.2034
Brugia malayi follicle stimulating hormone receptor 0.0021 0.1824 0.1824
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.6088 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0021 0.1824 0.2034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Brugia malayi Dopamine receptor protein 2 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1426 0.1426
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.1824 0.2034
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0021 0.1824 0.1824
Echinococcus granulosus g-protein coupled receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Onchocerca volvulus 0.0021 0.1824 1
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.1824 0.2034
Brugia malayi hypothetical protein 0.0021 0.1824 0.1824
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0021 0.1824 0.2034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1426 0.159
Echinococcus granulosus dro:myosuppressin receptor 0.0021 0.1824 0.2034
Onchocerca volvulus 0.0021 0.1824 1
Echinococcus granulosus neuropeptide receptor A26 0.0021 0.1824 0.2034
Brugia malayi Serotonin receptor 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Loa Loa (eye worm) hypothetical protein 0.0021 0.1824 0.1824
Echinococcus multilocularis g-protein coupled receptor 0.0021 0.1824 0.2034
Schistosoma mansoni neuropeptide f receptor 76f 0.0021 0.1824 0.2034

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.392 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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