Detailed information for compound 1398163

Basic information

Technical information
  • TDR Targets ID: 1398163
  • Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethy l] 2-(5-phenyltetrazol-2-yl)acetate
  • MW: 377.397 | Formula: C20H19N5O3
  • H donors: 0 H acceptors: 5 LogP: 3.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nnc(n1)c1ccccc1)OCC(=O)N1C(C)Cc2c1cccc2
  • InChi: 1S/C20H19N5O3/c1-14-11-16-9-5-6-10-17(16)25(14)18(26)13-28-19(27)12-24-22-20(21-23-24)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
  • InChiKey: RAJVKJIQBKUTFF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 2-(5-phenyltetrazol-2-yl)acetate
  • 2-(5-phenyl-2-tetrazolyl)acetic acid [2-(2-methyl-1-indolinyl)-2-oxoethyl] ester
  • 2-(5-phenyltetrazol-2-yl)acetic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester
  • [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-ethyl] 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate
  • SMR000066361
  • T0516-6817
  • Oprea1_604848
  • MLS000060649

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 lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Sus scrofa Calpain 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
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
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium ulcerans 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni aldehyde dehydrogenase 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
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Neospora caninum hypothetical protein 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
Schistosoma japonicum Calpain-9, putative Calpain 2   324 aa 275 aa 27.6 %
Echinococcus multilocularis hypothetical protein Calpain 2   324 aa 297 aa 27.9 %
Schistosoma mansoni calpain (C02 family) Calpain 2   324 aa 318 aa 24.2 %
Echinococcus granulosus calpain A Calpain 2   324 aa 297 aa 27.6 %
Schistosoma mansoni calpain C (C02 family) Calpain 2   324 aa 319 aa 27.3 %
Plasmodium vivax hypothetical protein, conserved Calpain 2   324 aa 277 aa 19.9 %
Echinococcus multilocularis calpain Calpain 2   324 aa 320 aa 31.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus calpain Calpain 2   324 aa 322 aa 31.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0599 0.3946
Brugia malayi Dopamine receptor protein 1 0.0022 0.0298 0.0537
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0022 0.0298 0.0236
Schistosoma mansoni neuropeptide f receptor 76f 0.0022 0.0298 0.0349
Echinococcus granulosus hypothetical protein 0.0022 0.0298 0.0236
Trypanosoma cruzi aminopeptidase, putative 0.0064 0.103 1
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni hypothetical protein 0.0022 0.0298 0.0349
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0599 0.1345
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1194 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni opsin-like receptor 0.0022 0.0298 0.0349
Schistosoma mansoni cpg binding protein 0.0035 0.0519 0.0608
Brugia malayi TATA binding protein associated factor 0.0039 0.0599 0.1345
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni biogenic amine receptor 0.0022 0.0298 0.0349
Brugia malayi G protein-coupled receptor F59B2.13 0.0022 0.0298 0.0537
Loa Loa (eye worm) TATA binding protein associated factor 0.0039 0.0599 0.1131
Loa Loa (eye worm) hypothetical protein 0.0039 0.0599 0.1131
Brugia malayi putative neuropeptide receptor 0.0022 0.0298 0.0537
Mycobacterium ulcerans aminopeptidase N PepN 0.0064 0.103 0.7251
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0263 0.4506 0.5277
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Echinococcus granulosus neuropeptide receptor 0.0022 0.0298 0.0236
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0599 0.5596
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0022 0.0298 0.0236
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0101 0.0037
Schistosoma mansoni calpain (C02 family) 0.0023 0.0317 0.0372
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1194 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0022 0.0298 0.0537
Trypanosoma cruzi Aminopeptidase M1, putative 0.0064 0.103 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Schistosoma mansoni hypothetical protein 0.0022 0.0298 0.0349
Echinococcus multilocularis G protein coupled receptor 139 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0078 0.1272 0.2658
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0022 0.0298 0.0537
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0298 0.0236
Trypanosoma brucei Aminopeptidase M1, putative 0.0064 0.103 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0022 0.0298 0.0236
Brugia malayi follicle stimulating hormone receptor 0.0022 0.0298 0.0537
Schistosoma mansoni amine GPCR 0.0022 0.0298 0.0349
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0064 0.103 0.8133
Echinococcus multilocularis calpain 7 (C02 family) 0.0023 0.0317 0.0255
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0599 0.3209
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0298 0.0349
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Brugia malayi hypothetical protein 0.0064 0.103 0.2504
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0298 0.0236
Echinococcus multilocularis sex peptide receptor 0.0022 0.0298 0.0236
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0599 0.3946
Brugia malayi Peptidase family M1 containing protein 0.0155 0.2625 0.6789
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0022 0.0298 0.0537
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0064 0.103 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.1341 0.1571
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0263 0.4506 1
Schistosoma mansoni adenoreceptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0022 0.0298 0.0448
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis G-protein coupled receptor, putative 0.0022 0.0298 0.0236
Brugia malayi Dopamine receptor protein 2 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni alpha-1 adrenergic receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0091 0.1508 0.3196
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0022 0.0298 0.0236
Schistosoma mansoni cpg binding protein 0.0037 0.0553 0.0648
Loa Loa (eye worm) melatonin receptor type 1A 0.0022 0.0298 0.0448
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0298 0.0236
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0599 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0022 0.0298 0.0537
Brugia malayi calpain 7 0.0023 0.0317 0.0589
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0025 0.0345 0.0283
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1194 0.1137
Echinococcus granulosus somatostatin receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus granulosus calpain A 0.0082 0.1341 0.1286
Schistosoma mansoni hypothetical protein 0.0022 0.0298 0.0349
Echinococcus multilocularis serotonin receptor 0.0022 0.0298 0.0236
Brugia malayi Dopamine receptor 0.0022 0.0298 0.0537
Schistosoma mansoni neuropeptide receptor 0.0022 0.0298 0.0349
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0025 0.0345 0.0382
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0022 0.0298 0.0448
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0022 0.0298 0.0349
Schistosoma mansoni biogenic amine (5HT) receptor 0.0022 0.0298 0.0349
Echinococcus granulosus tachykinin peptides receptor 99D 0.0022 0.0298 0.0236
Loa Loa (eye worm) TYRA-2 protein 0.0022 0.0298 0.0448
Echinococcus multilocularis hypothetical protein 0.0023 0.0317 0.0255
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0022 0.0298 0.0349
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8539 0.853
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0082 0.1341 0.1286
Echinococcus granulosus alpha 1A adrenergic receptor 0.0022 0.0298 0.0236
Schistosoma mansoni neuropeptide receptor 0.0022 0.0298 0.0349
Echinococcus granulosus neuropeptides capa receptor 0.0022 0.0298 0.0236
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0022 0.0298 0.0349
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0298 0.0236
Brugia malayi putative neuropeptide receptor NPR1 0.0022 0.0298 0.0537
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0078 0.1272 0.2658
Loa Loa (eye worm) calpain 5 0.0023 0.0317 0.0492
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1194 0.1398
Echinococcus multilocularis serotonin receptor 0.0022 0.0298 0.0236
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0025 0.0345 0.0404
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0298 0.0236
Echinococcus granulosus orexin receptor type 2 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus granulosus neuropeptide FF receptor 2 0.0022 0.0298 0.0236
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Echinococcus multilocularis calpain family protein 1, d 0.0055 0.0867 0.0809
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1194 0.1398
Loa Loa (eye worm) calpain 0.0023 0.0317 0.0492
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1194 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0345 0.0554
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0298 0.0236
Schistosoma mansoni amine GPCR 0.0022 0.0298 0.0349
Schistosoma mansoni biogenic amine (5HT) receptor 0.0022 0.0298 0.0349
Schistosoma mansoni aminopeptidase A (M01 family) 0.0039 0.0599 0.0701
Brugia malayi sulfakinin receptor protein 0.0022 0.0298 0.0537
Schistosoma mansoni hypothetical protein 0.0022 0.0298 0.0349
Brugia malayi Melatonin receptor type 1A 0.0022 0.0298 0.0537
Echinococcus granulosus calpain 5 0.0023 0.0317 0.0255
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0599 0.3946
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Brugia malayi G-protein coupled receptor 0.0022 0.0298 0.0537
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0599 0.3946
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1194 0.1137
Echinococcus granulosus biogenic amine 5HT receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0317 0.0372
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0022 0.0298 0.0236
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Brugia malayi larval opioid receptor 0.0022 0.0298 0.0537
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus multilocularis neuropeptide FF receptor 2 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0039 0.0599 0.1131
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0298 0.0236
Onchocerca volvulus 0.0055 0.0867 0.2447
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0022 0.0298 0.0236
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0022 0.0298 0.0236
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8539 0.853
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0298 0.0236
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0022 0.0298 0.0349
Brugia malayi calpain family protein 1 0.0078 0.1272 0.3153
Loa Loa (eye worm) G-protein coupled receptor 0.0022 0.0298 0.0448
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0298 0.0236
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0599 0.0538
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0022 0.0298 0.0448
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1198 0.1403
Echinococcus granulosus aminopeptidase N 0.0155 0.2625 0.2578
Loa Loa (eye worm) hypothetical protein 0.0116 0.194 0.4175
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0022 0.0298 0.0448
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni amine GPCR 0.0022 0.0298 0.0349
Echinococcus granulosus leukotriene A 4 hydrolase 0.0263 0.4506 0.4471
Trypanosoma brucei aminopeptidase, putative 0.0039 0.0599 0.3946
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0064 0.103 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Onchocerca volvulus 0.0039 0.0599 0.1292
Echinococcus granulosus calpain 0.0023 0.0317 0.0255
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0599 0.0538
Echinococcus granulosus neuropeptide Y receptor 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Echinococcus multilocularis calpain 0.0023 0.0317 0.0255
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0298 0.0236
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0519 0.0949
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0022 0.0298 0.0236
Echinococcus granulosus cpg binding protein 0.0037 0.0553 0.0493
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus granulosus calpain A 0.0023 0.0317 0.0255
Schistosoma mansoni neuropeptide F-like receptor 0.0022 0.0298 0.0349
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0039 0.0599 0.5
Echinococcus granulosus g-protein coupled receptor 0.0022 0.0298 0.0236
Echinococcus multilocularis calpain 5 0.0023 0.0317 0.0255
Brugia malayi neuropeptide F receptor 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0039 0.0599 0.1131
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0064 0.103 0.0973
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0298 0.0236
Schistosoma mansoni cpg binding protein 0.0037 0.0553 0.0648
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0039 0.0599 0.0701
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0022 0.0298 0.0349
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0064 0.103 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0064 0.0074
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0101 0.0037
Schistosoma mansoni neuropeptide receptor 0.0022 0.0298 0.0349
Schistosoma mansoni neuropeptide receptor 0.0022 0.0298 0.0349
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0022 0.0298 0.0537
Brugia malayi G-protein coupled receptor 0.0022 0.0298 0.0537
Echinococcus multilocularis aminopeptidase N 0.0155 0.2625 0.2578
Entamoeba histolytica aminopeptidase, putative 0.0064 0.103 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0599 0.3946
Brugia malayi hypothetical protein 0.0224 0.382 1
Schistosoma mansoni histamine h1 receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni amine GPCR 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0022 0.0298 0.0236
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0298 0.0236
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0022 0.0298 0.0537
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0022 0.0298 0.0448
Brugia malayi GnHR receptor homolog 0.0022 0.0298 0.0537
Echinococcus multilocularis dro:myosuppressin receptor 0.0022 0.0298 0.0236
Schistosoma mansoni opsin-like receptor 0.0022 0.0298 0.0349
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0022 0.0298 0.0236
Schistosoma mansoni growth hormone secretagogue receptor 0.0022 0.0298 0.0349
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.1272 0.1489
Brugia malayi Serotonin receptor 0.0022 0.0298 0.0537
Brugia malayi ORL1-like opioid receptor 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0298 0.0236
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Loa Loa (eye worm) calpain family protein 1 0.0078 0.1272 0.2658
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0317 0.0372
Loa Loa (eye worm) hypothetical protein 0.0025 0.0345 0.0554
Loa Loa (eye worm) peptidase family M1 containing protein 0.0131 0.2194 0.4752
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1194 1
Loa Loa (eye worm) calpain family protein 1 0.0055 0.0867 0.1741
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus granulosus biogenic amine 5HT receptor 0.0022 0.0298 0.0236
Echinococcus granulosus dro:myosuppressin receptor 0.0022 0.0298 0.0236
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0064 0.103 0.8133
Loa Loa (eye worm) neuropeptide F receptor 0.0022 0.0298 0.0448
Schistosoma mansoni hypothetical protein 0.0494 0.8539 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0039 0.0599 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Onchocerca volvulus 0.0064 0.103 0.3146
Trypanosoma brucei Aminopeptidase M1, putative 0.0064 0.103 1
Echinococcus multilocularis g-protein coupled receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) neuropeptide F receptor 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Brugia malayi Serotonin receptor 0.0022 0.0298 0.0537
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0082 0.1341 0.1571
Echinococcus granulosus peptide allatostatin:somatostatin 0.0022 0.0298 0.0236
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0599 0.3209
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0022 0.0298 0.0349
Echinococcus granulosus G protein coupled receptor 139 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1061 0.7764
Echinococcus multilocularis orexin receptor type 2 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0064 0.103 0.1206
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0298 0.0349
Schistosoma mansoni Mername-AA248 (C02 family) 0.0023 0.0317 0.0372
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0022 0.0298 0.0349
Echinococcus granulosus calpain 7 C02 family 0.0023 0.0317 0.0255
Brugia malayi calpain 5 0.0023 0.0317 0.0589
Echinococcus granulosus serotonin receptor 0.0022 0.0298 0.0236
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Echinococcus granulosus fmrfamide receptor 0.0022 0.0298 0.0236
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1194 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0055 0.0867 0.1741
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0298 0.0236
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0599 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0553 0.0493
Schistosoma mansoni opsin-like receptor 0.0022 0.0298 0.0349
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Echinococcus granulosus neuropeptide Y receptor 0.0022 0.0298 0.0236
Schistosoma mansoni amine GPCR 0.0022 0.0298 0.0349
Echinococcus granulosus neuropeptide receptor 0.0022 0.0298 0.0236
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0298 0.0236
Echinococcus granulosus sex peptide receptor 0.0022 0.0298 0.0236
Schistosoma mansoni neuropeptide F-like receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni calpain C (C02 family) 0.0023 0.0317 0.0372
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0022 0.0298 0.0349
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0022 0.0298 0.0236
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0082 0.1341 0.1286
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0263 0.4506 0.4471
Onchocerca volvulus 0.0155 0.2625 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0064 0.103 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0298 0.0236
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0298 0.0349
Echinococcus multilocularis allatostatin A receptor 0.0022 0.0298 0.0236
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0064 0.103 0.1206
Brugia malayi neuropeptide F receptor 0.0022 0.0298 0.0537
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Brugia malayi Peptidase family M1 containing protein 0.0064 0.103 0.2504
Brugia malayi G protein-coupled receptor 0.0022 0.0298 0.0537
Echinococcus multilocularis calpain A 0.0082 0.1341 0.1286
Brugia malayi AKH receptor 0.0022 0.0298 0.0537
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0022 0.0298 0.0236
Onchocerca volvulus 0.0035 0.0519 0.0949
Loa Loa (eye worm) aminopeptidase N 0.0064 0.103 0.211
Echinococcus granulosus neuropeptides capa receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Schistosoma mansoni biogenic amine receptor 0.0022 0.0298 0.0349
Echinococcus granulosus allatostatin A receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0055 0.0867 0.1741
Loa Loa (eye worm) G-protein coupled receptor 0.0022 0.0298 0.0448
Brugia malayi calpain family protein 1 0.0078 0.1272 0.3153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Brugia malayi CXXC zinc finger family protein 0.0035 0.0519 0.113
Echinococcus granulosus g protein coupled receptor 0.0022 0.0298 0.0236
Echinococcus granulosus 7TM GPCR rhodopsin 0.0022 0.0298 0.0236
Echinococcus granulosus g protein coupled receptor 0.0022 0.0298 0.0236
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0448
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0022 0.0298 0.0236
Brugia malayi hypothetical protein 0.0039 0.0599 0.1345
Echinococcus granulosus g protein coupled receptor 0.0022 0.0298 0.0236
Schistosoma mansoni biogenic amine receptor 0.0022 0.0298 0.0349
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0022 0.0298 0.0236
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0064 0.103 0.0973
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0298 0.0349
Schistosoma mansoni myosin xvIII 0.0022 0.0298 0.0349
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0298 0.0236
Brugia malayi RE15519p 0.0022 0.0298 0.0537
Brugia malayi hypothetical protein 0.0022 0.0298 0.0537
Echinococcus multilocularis somatostatin receptor 0.0022 0.0298 0.0236
Echinococcus granulosus 7tm_1 domain containing protein 0.0022 0.0298 0.0236
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0298 0.0236
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1194 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.556849344 um PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)] ChEMBL. No reference
Potency (functional) = 0.7079 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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