Detailed information for compound 1407412

Basic information

Technical information
  • TDR Targets ID: 1407412
  • Name: [2-(tert-butylamino)-2-oxoethyl] 4-hydroxyben zoate
  • MW: 251.278 | Formula: C13H17NO4
  • H donors: 2 H acceptors: 3 LogP: 1.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)O)OCC(=O)NC(C)(C)C
  • InChi: 1S/C13H17NO4/c1-13(2,3)14-11(16)8-18-12(17)9-4-6-10(15)7-5-9/h4-7,15H,8H2,1-3H3,(H,14,16)
  • InChiKey: CZBUKWHFBZCSMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(tert-butylamino)-2-oxo-ethyl] 4-hydroxybenzoate
  • 4-hydroxybenzoic acid [2-(tert-butylamino)-2-oxoethyl] ester
  • 4-hydroxybenzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester
  • T0515-9942
  • MLS000089290
  • ZINC03311964
  • SMR000062775

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) neuropeptide F receptor 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine receptor 0.0012 0.0002 0.0002
Brugia malayi calpain family protein 1 0.0078 0.147 0.3305
Echinococcus granulosus g-protein coupled receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0024 0.0272 0.0272
Schistosoma mansoni opsin-like receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0012 0.0002 0.0002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni rab6-interacting 0.002 0.0164 0.0164
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0024 0.0272 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0012 0.0002 0.0002
Trypanosoma brucei aminopeptidase, putative 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni neuropeptide receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0024 0.0272 0.0272
Echinococcus multilocularis allatostatin A receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis neuropeptides capa receptor 0.0012 0.0002 0.0002
Brugia malayi Peptidase family M1 containing protein 0.0024 0.0272 0.0612
Echinococcus multilocularis transient receptor potential cation channel 0.0161 0.3335 0.3335
Schistosoma mansoni biogenic amine receptor 0.0012 0.0002 0.0002
Schistosoma mansoni aminopeptidase A (M01 family) 0.0024 0.0272 0.0272
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.156 0.156
Brugia malayi hypothetical protein 0.0211 0.445 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis fmrfamide receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis aminopeptidase N 0.0024 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0012 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus serotonin receptor 0.0012 0.0002 0.0002
Schistosoma mansoni alpha-1 adrenergic receptor 0.0012 0.0002 0.0002
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0002 0.0002
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.2346 0.2346
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0245 0.0245
Echinococcus multilocularis g-protein coupled receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0012 0.0002 0.0002
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0024 0.0272 1
Brugia malayi Serotonin receptor 0.0012 0.0002 0.0005
Echinococcus multilocularis orexin receptor type 2 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Brugia malayi TATA binding protein associated factor 0.0024 0.0272 0.0612
Echinococcus granulosus 7TM GPCR rhodopsin 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi RE15519p 0.0012 0.0002 0.0005
Schistosoma mansoni myosin xvIII 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide FF receptor 2 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0024 0.0272 0.2861
Echinococcus multilocularis neuropeptide receptor A26 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0024 0.0272 0.0272
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0012 0.0002 0.0002
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0024 0.0272 1
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Echinococcus multilocularis G-protein coupled receptor, putative 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus alpha 1A adrenergic receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis hypothetical protein 0.0023 0.0245 0.0245
Trypanosoma brucei Aminopeptidase M1, putative 0.0024 0.0272 1
Onchocerca volvulus 0.0012 0.0002 0.0024
Schistosoma mansoni opsin-like receptor 0.0012 0.0002 0.0002
Schistosoma mansoni amine GPCR 0.0012 0.0002 0.0002
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0024 0.0272 1
Echinococcus granulosus calpain A 0.0023 0.0245 0.0245
Schistosoma mansoni biogenic amine receptor 0.0012 0.0002 0.0002
Echinococcus granulosus tachykinin peptides receptor 99D 0.0012 0.0002 0.0002
Entamoeba histolytica aminopeptidase, putative 0.0024 0.0272 1
Trypanosoma cruzi aminopeptidase, putative 0.0024 0.0272 1
Loa Loa (eye worm) neuropeptide F receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0256 0.5455 0.5455
Echinococcus multilocularis dro:myosuppressin receptor 0.0012 0.0002 0.0002
Echinococcus granulosus fmrfamide receptor 0.0012 0.0002 0.0002
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0024 0.0272 1
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0002 0.0002
Echinococcus granulosus allatostatin A receptor 0.0012 0.0002 0.0002
Schistosoma mansoni polycystin 1-related 0.002 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0055 0.0951 0.0951
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0002 0.0002
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0024 0.0272 0.0272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Mycobacterium ulcerans aminopeptidase N PepN 0.0024 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0164 0.0164
Onchocerca volvulus 0.0055 0.0951 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0245 0.0245
Echinococcus multilocularis neuropeptide Y receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) melatonin receptor type 1A 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0024 0.0272 0.2861
Brugia malayi Serotonin receptor 0.0012 0.0002 0.0005
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.002 0.0164 0.0164
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0012 0.0002 0.0005
Toxoplasma gondii aminopeptidase N, putative 0.0024 0.0272 0.5
Brugia malayi hypothetical protein 0.0024 0.0272 0.0612
Schistosoma mansoni neuropeptide F-like receptor 0.0012 0.0002 0.0002
Trypanosoma brucei Aminopeptidase M1, putative 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0951 0.0951
Brugia malayi Dopamine receptor protein 1 0.0012 0.0002 0.0005
Echinococcus multilocularis RUN 0.002 0.0164 0.0164
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0164 0.0164
Onchocerca volvulus 0.0012 0.0002 0.0024
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis sex peptide receptor 0.0012 0.0002 0.0002
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0012 0.0002 0.0005
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0012 0.0002 0.0002
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0024 0.0272 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0024 0.0272 0.0272
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus granulosus 7tm_1 domain containing protein 0.0012 0.0002 0.0002
Echinococcus granulosus dro:myosuppressin receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis serotonin receptor 0.0256 0.5455 0.5455
Brugia malayi hypothetical protein 0.002 0.0164 0.0369
Echinococcus multilocularis neuropeptide FF receptor 2 0.0012 0.0002 0.0002
Loa Loa (eye worm) calpain family protein 1 0.0078 0.147 0.147
Echinococcus multilocularis G protein coupled receptor 139 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0024 0.0272 0.0272
Onchocerca volvulus 0.0012 0.0002 0.0024
Brugia malayi calpain family protein 1 0.0078 0.147 0.3305
Echinococcus granulosus ankyrin repeat protein 0.0158 0.3258 0.3258
Schistosoma mansoni lipoxygenase 0.0117 0.2346 0.2346
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus granulosus neuropeptide Y receptor 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine (5HT) receptor 0.0256 0.5455 0.5455
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0024 0.0272 1
Echinococcus multilocularis neuropeptide s receptor 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Loa Loa (eye worm) G-protein coupled receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Onchocerca volvulus 0.0012 0.0002 0.0024
Loa Loa (eye worm) calpain 5 0.0023 0.0245 0.0245
Loa Loa (eye worm) peptidase family M1 containing protein 0.0024 0.0272 0.0272
Plasmodium vivax calpain, putative 0.0023 0.0245 0.7511
Echinococcus granulosus neuropeptides capa receptor 0.0012 0.0002 0.0002
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) doublecortin family protein 0.002 0.0164 0.0164
Brugia malayi calpain 7 0.0023 0.0245 0.0551
Schistosoma mansoni rab6-interacting 0.002 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0055 0.0951 0.0951
Brugia malayi putative neuropeptide receptor NPR1 0.0012 0.0002 0.0005
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.156 0.156
Onchocerca volvulus 0.0012 0.0002 0.0024
Schistosoma mansoni neuropeptide f receptor 76f 0.0012 0.0002 0.0002
Echinococcus multilocularis fmrfamide receptor 0.0012 0.0002 0.0002
Brugia malayi neuropeptide F receptor 0.0012 0.0002 0.0005
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0012 0.0002 0.0002
Schistosoma mansoni calpain (C02 family) 0.0023 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0164 0.0164
Brugia malayi G-protein coupled receptor 0.0012 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi sulfakinin receptor protein 0.0012 0.0002 0.0005
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide Y receptor 0.0012 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0012 0.0002 0.0002
Onchocerca volvulus 0.002 0.0164 0.1727
Schistosoma mansoni neuropeptide F-like receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0256 0.5455 0.5455
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.156 0.156
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0012 0.0002 0.0002
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0012 0.0002 0.0002
Schistosoma mansoni neuropeptide receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.147 0.147
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0164 0.0164
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Echinococcus multilocularis neuropeptide Y receptor 0.0012 0.0002 0.0002
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0245 0.0245
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Echinococcus multilocularis neuropeptide receptor 0.0012 0.0002 0.0002
Brugia malayi GnHR receptor homolog 0.0012 0.0002 0.0005
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0164 0.0164
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0012 0.0002 0.0005
Echinococcus granulosus peptide allatostatin:somatostatin 0.0012 0.0002 0.0002
Brugia malayi hypothetical protein 0.0024 0.0272 0.0612
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide receptor 0.0012 0.0002 0.0002
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0012 0.0002 0.0002
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0078 0.147 0.147
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0002 0.0002
Brugia malayi Dopamine receptor protein 2 0.0012 0.0002 0.0005
Schistosoma mansoni lipoxygenase 0.0082 0.1558 0.1558
Brugia malayi G-protein coupled receptor 0.0012 0.0002 0.0005
Echinococcus granulosus RUN 0.002 0.0164 0.0164
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0245 0.0245
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.2346 0.2346
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0024 0.0272 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0024 0.0272 1
Echinococcus granulosus somatostatin receptor 0.0012 0.0002 0.0002
Brugia malayi AKH receptor 0.0012 0.0002 0.0005
Brugia malayi G protein-coupled receptor 0.0012 0.0002 0.0005
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0012 0.0002 0.0002
Echinococcus granulosus sex peptide receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0012 0.0002 0.0002
Echinococcus granulosus biogenic amine 5HT receptor 0.0256 0.5455 0.5455
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0024 0.0272 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0012 0.0002 0.0002
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Trypanosoma cruzi aminopeptidase, putative 0.0024 0.0272 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0012 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni opsin-like receptor 0.0012 0.0002 0.0002
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.156 0.156
Brugia malayi Tachykinin-like peptides receptor 99D 0.0012 0.0002 0.0005
Echinococcus granulosus tm gpcr rhodopsin 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0024 0.0272 0.2861
Brugia malayi hypothetical protein 0.002 0.0164 0.0369
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus calpain 5 0.0023 0.0245 0.0245
Loa Loa (eye worm) G-protein coupled receptor 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide receptor 0.0012 0.0002 0.0002
Echinococcus granulosus calpain 0.0023 0.0245 0.0245
Echinococcus multilocularis somatostatin receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0245 0.0245
Schistosoma mansoni growth hormone secretagogue receptor 0.0012 0.0002 0.0002
Brugia malayi follicle stimulating hormone receptor 0.0012 0.0002 0.0005
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0164 0.0164
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Brugia malayi Peptidase family M1 containing protein 0.0024 0.0272 0.0612
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0024 0.0272 0.0272
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus multilocularis calpain 5 0.0023 0.0245 0.0245
Loa Loa (eye worm) aminopeptidase N 0.0024 0.0272 0.0272
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0024 0.0272 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0024 0.0272 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine (5HT) receptor 0.0012 0.0002 0.0002
Schistosoma mansoni amine GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0012 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide s receptor 0.0012 0.0002 0.0002
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0012 0.0002 0.0002
Schistosoma mansoni amine GPCR 0.0012 0.0002 0.0002
Echinococcus multilocularis ankyrin repeat protein 0.0158 0.3258 0.3258
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus transient receptor potential cation channel 0.0161 0.333 0.333
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus multilocularis g protein coupled receptor 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptide receptor A26 0.0012 0.0002 0.0002
Brugia malayi larval opioid receptor 0.0012 0.0002 0.0005
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0012 0.0002 0.0002
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0012 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Brugia malayi putative neuropeptide receptor 0.0012 0.0002 0.0005
Echinococcus granulosus calpain A 0.0082 0.156 0.156
Echinococcus multilocularis serotonin receptor 0.0256 0.5455 0.5455
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0158 0.3258 0.3258
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0012 0.0002 0.0002
Brugia malayi Dopamine receptor 0.0012 0.0002 0.0005
Echinococcus granulosus G protein coupled receptor 139 0.0012 0.0002 0.0002
Schistosoma mansoni neuropeptide receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0012 0.0002 0.0002
Schistosoma mansoni neuropeptide receptor 0.0012 0.0002 0.0002
Mycobacterium ulcerans aminopeptidase N PepN 0.0024 0.0272 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0012 0.0002 0.0002
Brugia malayi Doublecortin family protein 0.002 0.0164 0.0369
Toxoplasma gondii aminopeptidase N protein 0.0024 0.0272 0.5
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Echinococcus multilocularis calpain A 0.0082 0.156 0.156
Onchocerca volvulus Neuropeptide F receptor homolog 0.0012 0.0002 0.0024
Brugia malayi G protein-coupled receptor F59B2.13 0.0012 0.0002 0.0005
Brugia malayi calpain 5 0.0023 0.0245 0.0551
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi Melatonin receptor type 1A 0.0012 0.0002 0.0005
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0012 0.0002 0.0002
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.147 0.147
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0012 0.0002 0.0002
Echinococcus granulosus orexin receptor type 2 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0024 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0024 0.0272 0.0272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0012 0.0002 0.0002
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0012 0.0002 0.0002
Schistosoma mansoni histamine h1 receptor 0.0012 0.0002 0.0002
Onchocerca volvulus 0.0012 0.0002 0.0024
Onchocerca volvulus 0.0012 0.0002 0.0024
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0951 0.0951
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus g protein coupled receptor 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Toxoplasma gondii aminopeptidase n, putative 0.0024 0.0272 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus hypothetical protein 0.0012 0.0002 0.0002
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0024 0.0272 0.0272
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0012 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.002 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) calpain 0.0023 0.0245 0.0245
Echinococcus granulosus g protein coupled receptor 0.0012 0.0002 0.0002
Schistosoma mansoni loxhd1 0.002 0.0164 0.0164
Brugia malayi neuropeptide F receptor 0.0012 0.0002 0.0005
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0012 0.0002 0.0002
Schistosoma mansoni adenoreceptor 0.0012 0.0002 0.0002
Echinococcus granulosus biogenic amine 5HT receptor 0.0012 0.0002 0.0002
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0024 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0024 0.0272 1
Brugia malayi Peptidase family M1 containing protein 0.0024 0.0272 0.0612
Echinococcus multilocularis calpain 0.0023 0.0245 0.0245
Echinococcus multilocularis neuropeptide receptor 0.0012 0.0002 0.0002
Brugia malayi ORL1-like opioid receptor 0.0012 0.0002 0.0005
Brugia malayi hypothetical protein 0.0012 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Echinococcus granulosus neuropeptides capa receptor 0.0012 0.0002 0.0002
Echinococcus granulosus rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Schistosoma mansoni amine GPCR 0.0012 0.0002 0.0002
Echinococcus multilocularis neuropeptides capa receptor 0.0012 0.0002 0.0002
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0012 0.0002 0.0002
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0012 0.0002 0.0024
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0002 0.0002
Onchocerca volvulus 0.002 0.0164 0.1727
Schistosoma mansoni amine GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus g protein coupled receptor 0.0012 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0012 0.0002 0.0002
Echinococcus granulosus aminopeptidase N 0.0024 0.0272 0.0272

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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) 5.8584 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) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): 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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