Detailed information for compound 1371183

Basic information

Technical information
  • TDR Targets ID: 1371183
  • Name: ethyl 4-[[8-[(1-tert-butyltetrazol-5-yl)methy l]-8-azabicyclo[3.2.1]octan-3-yl]carbamoylami no]benzoate
  • MW: 455.553 | Formula: C23H33N7O3
  • H donors: 2 H acceptors: 5 LogP: 2.42 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)NC1CC2CCC(C1)N2Cc1nnnn1C(C)(C)C
  • InChi: 1S/C23H33N7O3/c1-5-33-21(31)15-6-8-16(9-7-15)24-22(32)25-17-12-18-10-11-19(13-17)29(18)14-20-26-27-28-30(20)23(2,3)4/h6-9,17-19H,5,10-14H2,1-4H3,(H2,24,25,32)
  • InChiKey: FOODIZRFHBFNPF-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[[[8-[(1-tert-butyl-5-tetrazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester
  • 4-[[8-[(1-tert-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamoylamino]benzoic acid ethyl ester
  • ethyl 4-[[8-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamoylamino]benzoate
  • ASN 06448343
  • 4-{3-[8-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-ureido}-benzoic acid ethyl ester
  • MLS000034314
  • SMR000006689

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) aminopeptidase N 0.0108 0.0171 0.0311
Loa Loa (eye worm) hypothetical protein 0.0217 0.0625 0.1193
Echinococcus granulosus neuropeptide receptor 0.012 0.0221 0.0429
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.012 0.0221 0.0399
Echinococcus granulosus lysine specific histone demethylase 1A 0.0415 0.1455 0.2823
Schistosoma mansoni amine GPCR 0.012 0.0221 0.021
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0024 0.0046
Echinococcus multilocularis orexin receptor type 2 0.012 0.0221 0.0549
Trypanosoma cruzi Aminopeptidase M1, putative 0.0108 0.0171 1
Echinococcus multilocularis somatostatin receptor 0.012 0.0221 0.0549
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Mycobacterium leprae probable zinc metalloprotease 0.0294 0.0946 1
Echinococcus multilocularis aminopeptidase N 0.0369 0.1259 0.3125
Brugia malayi Peptidase family M1 containing protein 0.0369 0.1259 0.2421
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus multilocularis neuropeptide receptor 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0077 0.0038 0.0026
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0171 0.0424
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0071 0.0016 0.0005
Echinococcus granulosus allatostatin A receptor 0.012 0.0221 0.0429
Brugia malayi G-protein coupled receptor 0.012 0.0221 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.012 0.0221 0.0549
Echinococcus granulosus tm gpcr rhodopsin 0.0622 0.2322 0.4507
Schistosoma mansoni amine GPCR 0.012 0.0221 0.021
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.012 0.0221 0.0549
Schistosoma mansoni histamine h1 receptor 0.012 0.0221 0.021
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.1299 0.5153 0.5147
Echinococcus granulosus neuropeptide Y receptor 0.012 0.0221 0.0429
Echinococcus multilocularis alpha 1A adrenergic receptor 0.012 0.0221 0.0549
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0328 0.1088 0.1078
Brugia malayi Tachykinin-like peptides receptor 99D 0.0349 0.1176 0.2258
Loa Loa (eye worm) hypothetical protein 0.026 0.0805 0.1544
Schistosoma mansoni biogenic amine (5HT) receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Onchocerca volvulus 0.012 0.0221 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Trypanosoma brucei Aminopeptidase M1, putative 0.0108 0.0171 1
Onchocerca volvulus 0.012 0.0221 0.0351
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Trypanosoma brucei Aminopeptidase M1, putative 0.0108 0.0171 1
Echinococcus granulosus neuropeptide receptor 0.012 0.0221 0.0429
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0268 0.084 0.231
Echinococcus granulosus thyrotropin releasing hormone receptor 0.012 0.0221 0.0429
Echinococcus granulosus tachykinin peptides receptor 99D 0.012 0.0221 0.0429
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Echinococcus granulosus g protein coupled receptor 0.012 0.0221 0.0429
Echinococcus granulosus furin 0.1299 0.5153 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.012 0.0221 0.021
Echinococcus granulosus aminopeptidase N 0.0369 0.1259 0.2444
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0071 0.0016 0.0005
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Giardia lamblia High cysteine membrane protein Group 2 0.0472 0.1694 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.012 0.0221 0.0549
Echinococcus granulosus G protein coupled receptor 139 0.012 0.0221 0.0429
Echinococcus multilocularis tachykinin peptides receptor 99D 0.012 0.0221 0.0549
Onchocerca volvulus 0.012 0.0221 0.0351
Brugia malayi neuroendocrine convertase 1 precursor 0.0826 0.3175 0.615
Loa Loa (eye worm) peptidase family M13 containing protein 0.0217 0.0625 0.1193
Brugia malayi Dopamine receptor protein 2 0.012 0.0221 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Loa Loa (eye worm) hypothetical protein 0.1299 0.5153 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0447 0.1587 0.1577
Onchocerca volvulus 0.012 0.0221 0.0351
Brugia malayi follicle stimulating hormone receptor 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0171 0.0332
Echinococcus granulosus neuropeptide s receptor 0.0567 0.2089 0.4054
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0171 0.0332
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0108 0.0171 0.016
Mycobacterium ulcerans dehydrogenase 0.0084 0.007 0.0501
Echinococcus multilocularis fmrfamide receptor 0.012 0.0221 0.0549
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0108 0.0171 1
Brugia malayi neuropeptide F receptor 0.012 0.0221 0.0399
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Leishmania major UDP-galactopyranose mutase 0.0084 0.007 0.314
Plasmodium vivax hypothetical protein, conserved 0.0084 0.007 0.1734
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Brugia malayi gonadotropin-releasing hormone receptor 2 0.012 0.0221 0.0399
Onchocerca volvulus 0.012 0.0221 0.0351
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis fmrfamide receptor 0.012 0.0221 0.0549
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0084 0.007 0.0741
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.088 0.9285
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0024 0.0252
Schistosoma mansoni tyrosine kinase 0.0136 0.0285 0.0274
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Brugia malayi Dopamine receptor 0.012 0.0221 0.0399
Echinococcus granulosus lysine specific histone demethylase 1A 0.0084 0.007 0.0136
Schistosoma mansoni biogenic amine (5HT) receptor 0.012 0.0221 0.021
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0108 0.0171 0.0424
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni amine oxidase 0.0084 0.007 0.0059
Schistosoma mansoni adenoreceptor 0.012 0.0221 0.021
Schistosoma mansoni neuropeptide f receptor 76f 0.012 0.0221 0.021
Loa Loa (eye worm) follicle stimulating hormone receptor 0.012 0.0221 0.0408
Loa Loa (eye worm) TK/EGFR protein kinase 0.0136 0.0285 0.0533
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Brugia malayi putative neuropeptide receptor NPR1 0.012 0.0221 0.0399
Loa Loa (eye worm) G-protein coupled receptor 0.012 0.0221 0.0408
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0294 0.0946 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Echinococcus multilocularis g protein coupled receptor 0.012 0.0221 0.0549
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0171 0.0332
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Brugia malayi GnHR receptor homolog 0.012 0.0221 0.0399
Onchocerca volvulus 0.012 0.0221 0.0351
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.045 0.1602 0.3093
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Schistosoma mansoni endothelin-converting enzyme-related 0.0071 0.0016 0.0005
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0084 0.007 0.1734
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) peptidase family M13 containing protein 0.0217 0.0625 0.1193
Brugia malayi amine oxidase, flavin-containing family protein 0.0119 0.0217 0.0391
Brugia malayi G-protein coupled receptor 0.012 0.0221 0.0399
Echinococcus multilocularis neuropeptides capa receptor 0.012 0.0221 0.0549
Onchocerca volvulus 0.045 0.1602 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Brugia malayi RE15519p 0.012 0.0221 0.0399
Echinococcus multilocularis neuropeptide Y receptor 0.012 0.0221 0.0549
Onchocerca volvulus 0.012 0.0221 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0084 0.007 0.0501
Brugia malayi Dopamine receptor protein 1 0.012 0.0221 0.0399
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.012 0.0221 0.0351
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Loa Loa (eye worm) hypothetical protein 0.0145 0.0326 0.0611
Echinococcus multilocularis neuropeptide receptor 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.0217 0.0625 0.1193
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.012 0.0221 0.021
Echinococcus granulosus 7tm_1 domain containing protein 0.012 0.0221 0.0429
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.08 0.3065 0.5949
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0084 0.007 0.0501
Mycobacterium ulcerans aminopeptidase N PepN 0.0108 0.0171 0.1597
Schistosoma mansoni neuropeptide F-like receptor 0.012 0.0221 0.021
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0294 0.0946 0.0935
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Schistosoma mansoni hypothetical protein 0.012 0.0221 0.021
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.0217 0.0625 0.1193
Schistosoma mansoni myosin xvIII 0.012 0.0221 0.021
Trichomonas vaginalis hypothetical protein 0.0268 0.084 0.231
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.012 0.0221 0.0429
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Brugia malayi endoprotease bli-4 precursor 0.1299 0.5153 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.012 0.0221 0.021
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0016 0.0005
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.012 0.0221 0.0549
Echinococcus multilocularis G protein coupled receptor 139 0.012 0.0221 0.0549
Echinococcus granulosus g protein coupled receptor 0.012 0.0221 0.0429
Schistosoma mansoni opsin-like receptor 0.012 0.0221 0.021
Echinococcus granulosus somatostatin receptor 0.012 0.0221 0.0429
Echinococcus multilocularis biogenic amine (5HT) receptor 0.012 0.0221 0.0549
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.012 0.0221 0.0429
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0084 0.007 0.0501
Echinococcus multilocularis serotonin receptor 0.012 0.0221 0.0549
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0148 0.0337 0.0326
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Brugia malayi hypothetical protein 0.0108 0.0171 0.0301
Brugia malayi Serotonin receptor 0.012 0.0221 0.0399
Schistosoma mansoni opsin-like receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni hypothetical protein 0.012 0.0221 0.021
Schistosoma mansoni growth hormone secretagogue receptor 0.012 0.0221 0.021
Echinococcus granulosus g-protein coupled receptor 0.012 0.0221 0.0429
Brugia malayi proprotein convertase 2 0.0826 0.3175 0.615
Schistosoma mansoni biogenic amine (dopamine) receptor 0.012 0.0221 0.021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0171 0.0332
Loa Loa (eye worm) hypothetical protein 0.0499 0.1804 0.3487
Toxoplasma gondii peptidase family M13 protein 0.0294 0.0946 1
Schistosoma mansoni hypothetical protein 0.0101 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni serine-type protease inhibitor 0.1312 0.5207 0.5201
Onchocerca volvulus 0.012 0.0221 0.0351
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Mycobacterium tuberculosis Possible oxidoreductase 0.0084 0.007 0.0501
Brugia malayi SWIRM domain containing protein 0.045 0.1602 0.3087
Schistosoma mansoni neuropeptide receptor 0.012 0.0221 0.021
Echinococcus multilocularis neuroendocrine convertase 2 0.0826 0.3175 0.7879
Brugia malayi hypothetical protein 0.0084 0.007 0.0105
Schistosoma mansoni alpha-1 adrenergic receptor 0.012 0.0221 0.021
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Schistosoma mansoni amine GPCR 0.012 0.0221 0.021
Echinococcus multilocularis neuropeptide Y receptor 0.012 0.0221 0.0549
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0415 0.1455 0.1445
Brugia malayi Serotonin/octopamine receptor family protein 7 0.012 0.0221 0.0399
Onchocerca volvulus 0.012 0.0221 0.0351
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.012 0.0221 0.021
Loa Loa (eye worm) zinc metallopeptidase 4 0.0071 0.0016 0.0009
Schistosoma mansoni neuropeptide receptor 0.012 0.0221 0.021
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.012 0.0221 0.0408
Echinococcus multilocularis 0.0084 0.007 0.0174
Echinococcus multilocularis neuropeptide receptor A26 0.0567 0.2089 0.5183
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0171 0.0424
Echinococcus granulosus biogenic amine 5HT receptor 0.012 0.0221 0.0429
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0268 0.084 0.231
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Loa Loa (eye worm) hypothetical protein 0.0084 0.007 0.0114
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0171 0.0424
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0108 0.0171 1
Onchocerca volvulus CoRest homolog 0.0169 0.0424 0.1769
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0148 0.0337 0.0326
Brugia malayi Myb-like DNA-binding domain containing protein 0.0164 0.0404 0.0755
Loa Loa (eye worm) hypothetical protein 0.0415 0.1455 0.2807
Loa Loa (eye worm) hypothetical protein 0.0294 0.0946 0.1817
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0268 0.084 0.231
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0164 0.0404 1
Brugia malayi Furin-like cysteine rich region family protein 0.0136 0.0285 0.0524
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0011 0.0028
Onchocerca volvulus 0.012 0.0221 0.0351
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Toxoplasma gondii histone lysine-specific demethylase 0.0084 0.007 0.0741
Brugia malayi ORL1-like opioid receptor 0.012 0.0221 0.0399
Toxoplasma gondii cathepsin CPC2 0.0164 0.0404 0.4273
Echinococcus granulosus sex peptide receptor 0.012 0.0221 0.0429
Schistosoma mansoni biogenic amine (dopamine) receptor 0.012 0.0221 0.021
Loa Loa (eye worm) proprotein convertase 2 0.0328 0.1088 0.2094
Loa Loa (eye worm) endoprotease bli-4 0.1299 0.5153 1
Schistosoma mansoni neuropeptide receptor 0.012 0.0221 0.021
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus multilocularis neuropeptide s receptor 0.0567 0.2089 0.5183
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus granulosus g protein coupled receptor 0.012 0.0221 0.0429
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0622 0.2322 0.5762
Echinococcus granulosus neuropeptides capa receptor 0.012 0.0221 0.0429
Loa Loa (eye worm) melatonin receptor type 1A 0.012 0.0221 0.0408
Echinococcus granulosus Furin 1 0.0328 0.1088 0.2111
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Echinococcus granulosus neuropeptide Y receptor 0.012 0.0221 0.0429
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Onchocerca volvulus 0.0145 0.0326 0.1081
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Schistosoma mansoni biogenic amine (dopamine) receptor 0.012 0.0221 0.021
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Onchocerca volvulus 0.012 0.0221 0.0351
Trypanosoma cruzi aminopeptidase, putative 0.0108 0.0171 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0171 0.0424
Brugia malayi G protein-coupled receptor F59B2.13 0.012 0.0221 0.0399
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.012 0.0221 0.0408
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.08 0.3065 1
Schistosoma mansoni hypothetical protein 0.0268 0.084 0.0829
Schistosoma mansoni hypothetical protein 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Trypanosoma cruzi UDP-galactopyranose mutase 0.0084 0.007 0.3677
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0024 0.0059
Loa Loa (eye worm) hypothetical protein 0.0169 0.0424 0.0803
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0108 0.0171 1
Brugia malayi Peptidase family M13 containing protein 0.0294 0.0946 0.1809
Echinococcus multilocularis serotonin receptor 0.012 0.0221 0.0549
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0084 0.007 0.0059
Plasmodium falciparum protoporphyrinogen oxidase 0.0084 0.007 0.1734
Schistosoma mansoni amine GPCR 0.012 0.0221 0.021
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.08 0.3065 0.7606
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Loa Loa (eye worm) hypothetical protein 0.0294 0.0946 0.1817
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0084 0.007 0.1734
Echinococcus granulosus tm gpcr rhodopsin 0.012 0.0221 0.0429
Mycobacterium ulcerans oxidoreductase 0.0084 0.007 0.0501
Echinococcus multilocularis sex peptide receptor 0.012 0.0221 0.0549
Echinococcus multilocularis dro:myosuppressin receptor 0.012 0.0221 0.0549
Brugia malayi Melatonin receptor type 1A 0.012 0.0221 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.012 0.0221 0.021
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.012 0.0221 0.0549
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Schistosoma mansoni opsin-like receptor 0.012 0.0221 0.021
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Onchocerca volvulus 0.0369 0.1259 0.7608
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni neuropeptide receptor 0.012 0.0221 0.021
Echinococcus granulosus hypothetical protein 0.012 0.0221 0.0429
Echinococcus multilocularis 0.103 0.403 1
Echinococcus granulosus neuropeptide receptor A26 0.0567 0.2089 0.4054
Echinococcus granulosus endothelin converting enzyme 1 0.0294 0.0946 0.1835
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Echinococcus granulosus neuropeptide FF receptor 2 0.0349 0.1176 0.2283
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus granulosus fmrfamide receptor 0.012 0.0221 0.0429
Loa Loa (eye worm) neuropeptide F receptor 0.012 0.0221 0.0408
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.012 0.0221 0.0429
Loa Loa (eye worm) peptidase family M1 containing protein 0.0298 0.0965 0.1855
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Brugia malayi celfurPC protein 0.103 0.403 0.7814
Schistosoma mansoni serine-type protease inhibitor 0.1312 0.5207 0.5201
Schistosoma mansoni biogenic amine receptor 0.012 0.0221 0.021
Chlamydia trachomatis protoporphyrinogen oxidase 0.0084 0.007 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.0826 0.3175 0.6162
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0148 0.0337 0.0326
Echinococcus granulosus neuropeptides capa receptor 0.012 0.0221 0.0429
Mycobacterium ulcerans zinc metalloprotease 0.0294 0.0946 1
Onchocerca volvulus 0.012 0.0221 0.0351
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0016 0.0005
Schistosoma mansoni biogenic amine receptor 0.012 0.0221 0.021
Echinococcus granulosus rhodopsin orphan GPCR 0.012 0.0221 0.0429
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus multilocularis allatostatin A receptor 0.012 0.0221 0.0549
Loa Loa (eye worm) hypothetical protein 0.0415 0.1455 0.2807
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0108 0.0171 0.016
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Brugia malayi larval opioid receptor 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.0164 0.0404 0.0764
Loa Loa (eye worm) TYRA-2 protein 0.012 0.0221 0.0408
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.012 0.0221 0.0549
Echinococcus multilocularis g-protein coupled receptor 0.012 0.0221 0.0549
Echinococcus multilocularis neuropeptides capa receptor 0.012 0.0221 0.0549
Echinococcus multilocularis protoporphyrinogen oxidase 0.0084 0.007 0.0174
Onchocerca volvulus Neuropeptide F receptor homolog 0.012 0.0221 0.0351
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.08 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.0646 0.1235
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni hypothetical protein 0.012 0.0221 0.021
Trypanosoma cruzi UDP-galactopyranose mutase 0.0084 0.007 0.3677
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Echinococcus granulosus alpha 1A adrenergic receptor 0.012 0.0221 0.0429
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.012 0.0221 0.0429
Echinococcus multilocularis endothelin converting enzyme 1 0.0294 0.0946 0.2346
Loa Loa (eye worm) hypothetical protein 0.0084 0.007 0.0114
Schistosoma mansoni biogenic amine receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.033 0.11 0.2117
Onchocerca volvulus 0.012 0.0221 0.0351
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0108 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis g protein coupled receptor 0.012 0.0221 0.0549
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.012 0.0221 0.021
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0024 0.0013
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0164 0.0404 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0084 0.007 0.1734
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0024 0.0013
Echinococcus granulosus orexin receptor type 2 0.012 0.0221 0.0429
Mycobacterium tuberculosis Conserved hypothetical protein 0.0084 0.007 0.0501
Schistosoma mansoni hypothetical protein 0.0077 0.0038 0.0026
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Brugia malayi Peptidase family M1 containing protein 0.0108 0.0171 0.0301
Echinococcus granulosus dro:myosuppressin receptor 0.012 0.0221 0.0429
Schistosoma mansoni neprilysin 0.0077 0.0038 0.0026
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus granulosus serotonin receptor 0.012 0.0221 0.0429
Loa Loa (eye worm) neuropeptide F receptor 0.012 0.0221 0.0408
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0148 0.0337 0.0326
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Echinococcus granulosus epidermal growth factor receptor 0.0136 0.0285 0.0553
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni amine oxidase 0.0084 0.007 0.0059
Mycobacterium ulcerans monoamine oxidase 0.0084 0.007 0.0501
Onchocerca volvulus 0.012 0.0221 0.0351
Loa Loa (eye worm) hypothetical protein 0.0217 0.0625 0.1193
Entamoeba histolytica aminopeptidase, putative 0.0108 0.0171 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.0148 0.0337 0.0326
Brugia malayi AKH receptor 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.012 0.0221 0.0549
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.012 0.0221 0.0408
Echinococcus multilocularis rhodopsin orphan GPCR 0.012 0.0221 0.0549
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.012 0.0221 0.021
Echinococcus granulosus biogenic amine 5HT receptor 0.012 0.0221 0.0429
Echinococcus multilocularis G-protein coupled receptor, putative 0.012 0.0221 0.0549
Echinococcus multilocularis g protein coupled receptor 0.012 0.0221 0.0549
Schistosoma mansoni furin-1 (S08 family) 0.0558 0.2052 0.2043
Loa Loa (eye worm) hypothetical protein 0.0119 0.0217 0.04
Echinococcus multilocularis neuropeptide FF receptor 2 0.0349 0.1176 0.2919
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.012 0.0221 0.0429
Echinococcus multilocularis epidermal growth factor receptor 0.0136 0.0285 0.0708
Echinococcus multilocularis Furin 1 0.0328 0.1088 0.2699
Onchocerca volvulus 0.012 0.0221 0.0351
Onchocerca volvulus 0.012 0.0221 0.0351
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0294 0.0946 0.1809
Schistosoma mansoni amine GPCR 0.012 0.0221 0.021
Brugia malayi sulfakinin receptor protein 0.012 0.0221 0.0399
Brugia malayi hypothetical protein 0.012 0.0221 0.0399
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.012 0.0221 0.0408
Brugia malayi neuropeptide F receptor 0.012 0.0221 0.0399
Plasmodium vivax hypothetical protein, conserved 0.0084 0.007 0.1734
Onchocerca volvulus 0.012 0.0221 0.0351
Brugia malayi putative neuropeptide receptor 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Schistosoma mansoni peptide (allatostatin)-like receptor 0.012 0.0221 0.021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0328 0.1088 0.3168
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus granulosus 7TM GPCR rhodopsin 0.012 0.0221 0.0429
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0171 0.0424
Brugia malayi G protein-coupled receptor 0.012 0.0221 0.0399
Echinococcus granulosus tm gpcr rhodopsin 0.012 0.0221 0.0429
Loa Loa (eye worm) G-protein coupled receptor 0.012 0.0221 0.0408
Brugia malayi Serotonin receptor 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0415 0.1455 0.361
Schistosoma mansoni neuropeptide F-like receptor 0.012 0.0221 0.021
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.0349 0.1176 0.2266
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Echinococcus granulosus peptide allatostatin:somatostatin 0.012 0.0221 0.0429
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0071 0.0016 0.0005
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0084 0.007 0.1734
Schistosoma mansoni rhodopsin-like orphan GPCR 0.012 0.0221 0.021
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.012 0.0221 0.0399
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Trichomonas vaginalis conserved hypothetical protein 0.0268 0.084 0.231
Loa Loa (eye worm) hypothetical protein 0.012 0.0221 0.0408
Loa Loa (eye worm) hypothetical protein 0.0294 0.0946 0.1817

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 5.6234 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) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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