Detailed information for compound 1302252

Basic information

Technical information
  • TDR Targets ID: 1302252
  • Name: 3-ethoxycarbonyl-1,2-dimethyl-4-(piperidin-1- ium-1-ylmethyl)indol-5-olate
  • MW: 330.421 | Formula: C19H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c2c1c(CN1CCCCC1)c(O)cc2)C
  • InChi: 1S/C19H26N2O3/c1-4-24-19(23)17-13(2)20(3)15-8-9-16(22)14(18(15)17)12-21-10-6-5-7-11-21/h8-9,22H,4-7,10-12H2,1-3H3
  • InChiKey: WCYGMKRLXIWQNS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-ethoxycarbonyl-1,2-dimethyl-4-(1-piperidin-1-iumylmethyl)-5-indololate
  • 3-carbethoxy-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-olate
  • ethyl 5-hydroxy-1,2-dimethyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
  • ethyl 5-hydroxy-1,2-dimethyl-4-(1-piperidylmethyl)indole-3-carboxylate
  • 5-hydroxy-1,2-dimethyl-4-(1-piperidylmethyl)-3-indolecarboxylic acid ethyl ester
  • 5-hydroxy-1,2-dimethyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester
  • SMR000041115
  • Oprea1_380103
  • MLS000036263
  • STOCK2S-76260

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0064 0.0057
Onchocerca volvulus 0.0114 0.0376 0.2277
Onchocerca volvulus 0.0155 0.054 0.3295
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.0007 0.0007
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.0505 0.0498
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0052 0.0045
Echinococcus multilocularis cpg binding protein 0.0062 0.0169 0.0169
Echinococcus multilocularis allatostatin A receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.2536 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.0788 0.0788
Echinococcus multilocularis neuropeptide s receptor 0.0021 0.0007 0.0007
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0155 0.054 0.2995
Mycobacterium tuberculosis Conserved protein 0.0155 0.054 0.1225
Trichomonas vaginalis spcc417.12 protein, putative 0.0429 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.2536 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0076 0.0502
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0097 0.0514
Echinococcus granulosus hypothetical protein 0.0021 0.0007 0.0007
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0115 0.0108
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0258 0.0947 0.0941
Schistosoma mansoni hypothetical protein 0.0205 0.0737 0.073
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.0007 0.0007
Echinococcus granulosus 7tm_1 domain containing protein 0.0021 0.0007 0.0007
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0127 0.0393
Mycobacterium ulcerans glutaminase 0.0276 0.102 0.6087
Echinococcus granulosus para nitrobenzyl esterase 0.0429 0.1626 0.1626
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0429 0.1626 0.162
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0155 0.054 0.1225
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1373 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0052 0.0052
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0253 0.093 0.093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Trichomonas vaginalis set domain proteins, putative 0.0247 0.0906 0.5356
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0705 0.0699
Loa Loa (eye worm) melatonin receptor type 1A 0.0021 0.0007 0.0007
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0097 0.0133
Mycobacterium ulcerans esterase/lipase LipP 0.0155 0.054 0.2995
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0129 0.0122
Brugia malayi TAR-binding protein 0.0203 0.073 0.0723
Echinococcus multilocularis neuropeptide receptor 0.0021 0.0007 0.0007
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0609 0.4112
Loa Loa (eye worm) RNA binding protein 0.0203 0.073 0.073
Echinococcus granulosus dro:myosuppressin receptor 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0059 0.0156 0.0921
Echinococcus multilocularis neuropeptide receptor 0.0021 0.0007 0.0007
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0253 0.093 0.6583
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0021 0.0007 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0097 0.0159
Brugia malayi Carboxylesterase family protein 0.0429 0.1626 0.162
Echinococcus granulosus alpha 1A adrenergic receptor 0.0021 0.0007 0.0007
Schistosoma mansoni glutaminase 0.0276 0.102 0.1013
Echinococcus granulosus peptide allatostatin:somatostatin 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0429 0.1626 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Echinococcus granulosus cpg binding protein 0.0062 0.0169 0.0169
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.0488 0.0488
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.016 0.0222
Loa Loa (eye worm) hypothetical protein 0.0236 0.0862 0.0862
Loa Loa (eye worm) hypothetical protein 0.0052 0.0129 0.0129
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2536 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1373 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus g protein coupled receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.0007 0.0007
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0021 0.0007 0.0007
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0429 0.1626 0.409
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0007 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Schistosoma mansoni cpg binding protein 0.0062 0.0169 0.0163
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0992 0.3865 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0052 0.0052
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0631 0.3579
Echinococcus multilocularis para nitrobenzyl esterase 0.0429 0.1626 0.1626
Brugia malayi RNA binding protein 0.0203 0.073 0.0723
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.016 0.0154
Echinococcus multilocularis neuropeptide FF receptor 2 0.0021 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0048 0.0115 0.0108
Echinococcus multilocularis serotonin receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0076 0.0076
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0094 0.0094
Trichomonas vaginalis penicillin-binding protein, putative 0.0155 0.054 0.2995
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0097 0.0097
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Brugia malayi hypothetical protein 0.0429 0.1626 0.162
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus neuropeptide receptor A26 0.0021 0.0007 0.0007
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.0007 0.0007
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.016 0.0542
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0299 0.1111 0.1111
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0097 0.0133
Echinococcus granulosus orexin receptor type 2 0.0021 0.0007 0.0007
Mycobacterium ulcerans lipase LipD 0.0155 0.054 0.2995
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0291 0.0291
Mycobacterium tuberculosis Probable lipase LipD 0.0155 0.054 0.1225
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0705 0.0705
Echinococcus multilocularis G protein coupled receptor 139 0.0021 0.0007 0.0007
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0097 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus multilocularis g-protein coupled receptor 0.0021 0.0007 0.0007
Echinococcus granulosus G protein coupled receptor 139 0.0021 0.0007 0.0007
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0021 0.0007 0.0007
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0097 1
Echinococcus multilocularis tar DNA binding protein 0.0203 0.073 0.073
Loa Loa (eye worm) hypothetical protein 0.0032 0.0052 0.0052
Echinococcus multilocularis fmrfamide receptor 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0247 0.0906 0.5555
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0021 0.0007 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Echinococcus granulosus g-protein coupled receptor 0.0021 0.0007 0.0007
Echinococcus granulosus g protein coupled receptor 0.0021 0.0007 0.0007
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0097 0.0159
Schistosoma mansoni acetylcholinesterase 0.0429 0.1626 0.162
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0609 0.4112
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus multilocularis G-protein coupled receptor, putative 0.0021 0.0007 0.0007
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0705 0.0705
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0048 0.0115 0.0668
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0429 0.1626 0.1626
Mycobacterium ulcerans hypothetical protein 0.0192 0.0687 0.3939
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.008 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0021 0.0007 0.0007
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0021 0.0007 0.0007
Schistosoma mansoni survival motor neuron protein 0.0048 0.0115 0.0108
Brugia malayi beta-lactamase family protein 0.0155 0.054 0.0534
Mycobacterium tuberculosis Carboxylesterase LipT 0.0429 0.1626 0.409
Mycobacterium tuberculosis Probable esterase LipL 0.0155 0.054 0.1225
Schistosoma mansoni gliotactin 0.0429 0.1626 0.162
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0291 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0291 0.0284
Trypanosoma cruzi hypothetical protein, conserved 0.0155 0.054 0.3581
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0096 0.0096
Brugia malayi hypothetical protein 0.0043 0.0096 0.0089
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0094 0.0872
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0021 0.0007 0.0007
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0097 0.009
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.0007 0.0007
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0253 0.093 0.2252
Echinococcus granulosus neuropeptide s receptor 0.0021 0.0007 0.0007
Echinococcus multilocularis neuroligin 0.0429 0.1626 0.1626
Schistosoma mansoni cpg binding protein 0.0059 0.0156 0.0149
Echinococcus granulosus fmrfamide receptor 0.0021 0.0007 0.0007
Mycobacterium ulcerans beta-lactamase 0.0155 0.054 0.2995
Echinococcus multilocularis neuropeptide receptor A26 0.0021 0.0007 0.0007
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0097 0.0097
Schistosoma mansoni tar DNA-binding protein 0.0203 0.073 0.0723
Echinococcus granulosus 7TM GPCR rhodopsin 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0291 0.0291
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.0007 0.0007
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0097 0.0133
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0429 0.1626 1
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Brugia malayi RNA recognition motif domain containing protein 0.0203 0.073 0.0723
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0076 0.5
Schistosoma mansoni ap endonuclease 0.0038 0.0076 0.0069
Mycobacterium leprae conserved hypothetical protein 0.0155 0.054 0.5
Echinococcus granulosus dnaJ subfamily B 0.0834 0.3235 0.3235
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0429 0.1626 1
Onchocerca volvulus Glucosylceramidase homolog 0.0169 0.0595 0.3632
Mycobacterium ulcerans hypothetical protein 0.0155 0.054 0.2995
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1373 1
Entamoeba histolytica hypothetical protein 0.0043 0.0096 0.9592
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Toxoplasma gondii hypothetical protein 0.0059 0.0157 0.1201
Echinococcus granulosus g protein coupled receptor 0.0021 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0291 0.0291
Echinococcus granulosus carboxylesterase 5A 0.2536 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0155 0.054 0.2995
Onchocerca volvulus 0.0429 0.1626 1
Echinococcus granulosus acetylcholinesterase 0.2536 1 1
Brugia malayi Carboxylesterase family protein 0.0429 0.1626 0.162
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.016 0.016
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0094 0.0485
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.0007 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0052 0.0045
Loa Loa (eye worm) TYRA-2 protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Echinococcus multilocularis neuropeptide Y receptor 0.0021 0.0007 0.0007
Echinococcus granulosus sex peptide receptor 0.0021 0.0007 0.0007
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0007 0.0007
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0429 0.1626 0.162
Echinococcus granulosus serotonin receptor 0.0021 0.0007 0.0007
Schistosoma mansoni alpha-glucosidase 0.0169 0.0596 0.059
Echinococcus multilocularis carboxylesterase 5A 0.2536 1 1
Brugia malayi CXXC zinc finger family protein 0.0059 0.0156 0.0149
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.0862 0.0862
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.0007 0.0007
Echinococcus multilocularis orexin receptor type 2 0.0021 0.0007 0.0007
Schistosoma mansoni alpha glucosidase 0.0044 0.0097 0.009
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0096 0.0096
Echinococcus granulosus geminin 0.0205 0.0737 0.0737
Loa Loa (eye worm) glutaminase 0.0276 0.102 0.102
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0021 0.0007 0.0007
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0429 0.1626 0.1626
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0253 0.093 0.093
Entamoeba histolytica hypothetical protein 0.0043 0.0096 0.9592
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0094 0.0117
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0291 0.0284
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Mycobacterium tuberculosis Probable hydrolase 0.0155 0.054 0.1225
Schistosoma mansoni tar DNA-binding protein 0.0203 0.073 0.0723
Toxoplasma gondii aldehyde dehydrogenase 0.0253 0.093 1
Echinococcus multilocularis serotonin receptor 0.0021 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0205 0.0737 0.073
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0129 0.0122
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0097 0.0133
Onchocerca volvulus 0.0155 0.054 0.3295
Onchocerca volvulus 0.0429 0.1626 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) glutaminase 2 0.0276 0.102 0.102
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Brugia malayi beta-lactamase 0.0155 0.054 0.0534
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0021 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.0155 0.054 0.3581
Schistosoma mansoni hypothetical protein 0.0035 0.0064 0.0057
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0094 0.0117
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0155 0.054 0.054
Echinococcus granulosus neuropeptide receptor 0.0021 0.0007 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0253 0.093 0.5506
Toxoplasma gondii ABC1 family protein 0.0155 0.054 0.5567
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Schistosoma mansoni ap endonuclease 0.0038 0.0076 0.0069
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.0862 0.0862
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.016 0.0542
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0155 0.054 0.0534
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.0007 0.0007
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0155 0.054 0.1225
Schistosoma mansoni tar DNA-binding protein 0.0203 0.073 0.0723
Schistosoma mansoni hypothetical protein 0.0834 0.3235 0.3231
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Trichomonas vaginalis esterase, putative 0.0155 0.054 0.2995
Echinococcus granulosus allatostatin A receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0097 0.0097
Echinococcus granulosus biogenic amine 5HT receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Echinococcus granulosus neuroligin 0.0429 0.1626 0.1626
Brugia malayi Pre-SET motif family protein 0.0032 0.0052 0.0045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0155 0.054 0.0534
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.0007 0.0007
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.016 0.016
Loa Loa (eye worm) acetylcholinesterase 1 0.2536 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.0007 0.0007
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.008 0.1865
Loa Loa (eye worm) carboxylesterase 0.0429 0.1626 0.1626
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.0505 0.0498
Echinococcus multilocularis acetylcholinesterase 0.2536 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1373 1
Echinococcus granulosus neuropeptides capa receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.016 0.0154
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Trichomonas vaginalis D-aminoacylase, putative 0.0155 0.054 0.2995
Schistosoma mansoni aldehyde dehydrogenase 0.0253 0.093 0.0923
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0097 0.0133
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0021 0.0007 0.0007
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0429 0.1626 0.409
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0687 0.1611
Entamoeba histolytica hypothetical protein 0.0043 0.0096 0.9592
Echinococcus granulosus neuropeptide receptor 0.0021 0.0007 0.0007
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.016 0.0648
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0144 0.0144
Echinococcus granulosus BC026374 protein S09 family 0.0429 0.1626 0.1626
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0021 0.0007 0.0007
Echinococcus granulosus tachykinin peptides receptor 99D 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Toxoplasma gondii exonuclease III APE 0.0038 0.0076 0.0279
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0021 0.0007 0.0007
Plasmodium vivax hypothetical protein, conserved 0.0155 0.054 1
Echinococcus granulosus somatostatin receptor 0.0021 0.0007 0.0007
Brugia malayi glutaminase DH11.1 0.0276 0.102 0.1013
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0042 0.0042
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Echinococcus granulosus tm gpcr rhodopsin 0.0021 0.0007 0.0007
Onchocerca volvulus 0.0155 0.054 0.3295
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0155 0.054 0.3581
Schistosoma mansoni tar DNA-binding protein 0.0203 0.073 0.0723
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0096 0.0089
Echinococcus granulosus beta LACTamase domain containing family member 0.0155 0.054 0.054
Loa Loa (eye worm) carboxylesterase 0.0429 0.1626 0.1626
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0705 0.0705
Mycobacterium tuberculosis Conserved protein 0.0155 0.054 0.1225
Loa Loa (eye worm) acetyltransferase 0.0146 0.0505 0.0505
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0021 0.0007 0.0007
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0094 0.0485
Onchocerca volvulus 0.0429 0.1626 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0021 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0043 0.0096 0.0089
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0127 0.0393
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Echinococcus multilocularis somatostatin receptor 0.0021 0.0007 0.0007
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0097 0.0133
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0097 0.0133
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0705 0.0705
Loa Loa (eye worm) carboxylesterase 0.2536 1 1
Schistosoma mansoni cpg binding protein 0.0062 0.0169 0.0163
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0097 0.0133
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Echinococcus granulosus rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0155 0.054 0.054
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0097 0.0159
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0052 0.0045
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.0505 0.0505
Echinococcus multilocularis neuropeptides capa receptor 0.0021 0.0007 0.0007
Echinococcus granulosus tar DNA binding protein 0.0203 0.073 0.073
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0052 0.0052
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0035 0.0064 0.0064
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0156 0.0156
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0097 0.0133
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0021 0.0007 0.0007
Schistosoma mansoni BC026374 protein (S09 family) 0.0429 0.1626 0.162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0291 0.0284
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0203 0.073 0.073
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0631 0.3579
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0021 0.0007 0.0007
Schistosoma mansoni alpha-glucosidase 0.0169 0.0596 0.059
Schistosoma mansoni neuroligin 3 (S09 family) 0.0429 0.1626 0.162
Entamoeba histolytica hypothetical protein 0.0043 0.0096 0.9592
Loa Loa (eye worm) beta-lactamase 0.0155 0.054 0.054
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0155 0.054 0.0534
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0052 0.0045
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) TAR-binding protein 0.0203 0.073 0.073
Brugia malayi hypothetical protein 0.0236 0.0862 0.0856
Echinococcus multilocularis geminin 0.0205 0.0737 0.0737
Echinococcus multilocularis dro:myosuppressin receptor 0.0021 0.0007 0.0007
Trichomonas vaginalis D-aminoacylase, putative 0.0155 0.054 0.2995
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0291 0.0291
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0127 0.0393
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0258 0.0947 0.0947
Brugia malayi Carboxylesterase family protein 0.2536 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0172 0.0737
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0429 0.1626 0.162
Echinococcus multilocularis dnaJ subfamily B 0.0834 0.3235 0.3235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Echinococcus multilocularis sex peptide receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) neuropeptide F receptor 0.0021 0.0007 0.0007
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.0383 0.3771
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0947 0.5617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0291 0.0291
Echinococcus multilocularis beta LACTamase domain containing family member 0.0155 0.054 0.054
Echinococcus granulosus acetylcholinesterase 0.2536 1 1
Loa Loa (eye worm) hypothetical protein 0.0429 0.1626 0.1626
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0127 0.0393
Brugia malayi Carboxylesterase family protein 0.0429 0.1626 0.162
Trichomonas vaginalis D-aminoacylase, putative 0.0155 0.054 0.2995
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Mycobacterium leprae Probable lipase LipE 0.0155 0.054 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0021 0.0007 0.0007
Mycobacterium tuberculosis Conserved protein 0.0155 0.054 0.1225
Trichomonas vaginalis glutaminase, putative 0.0276 0.102 0.6087
Echinococcus multilocularis acetylcholinesterase 0.2536 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Trypanosoma brucei hypothetical protein, conserved 0.0155 0.054 0.3581
Echinococcus multilocularis rhodopsin orphan GPCR 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Brugia malayi Pre-SET motif family protein 0.0217 0.0788 0.0781
Brugia malayi beta-lactamase family protein 0.0155 0.054 0.0534
Mycobacterium tuberculosis Probable lipase LipE 0.0155 0.054 0.1225
Onchocerca volvulus 0.0032 0.0052 0.0277
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0155 0.054 0.1225
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.0421 0.0415
Mycobacterium ulcerans carboxylesterase, LipT 0.0429 0.1626 1
Echinococcus multilocularis fmrfamide receptor 0.0021 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0609 0.4112
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0076 0.0069
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Mycobacterium ulcerans aldehyde dehydrogenase 0.0253 0.093 0.5506
Brugia malayi follicle stimulating hormone receptor 0.0299 0.1111 0.1104
Mycobacterium ulcerans aldehyde dehydrogenase 0.0253 0.093 0.5506
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0076 0.0076
Echinococcus multilocularis g protein coupled receptor 0.0021 0.0007 0.0007
Schistosoma mansoni aldehyde dehydrogenase 0.0253 0.093 0.0923
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0021 0.0007 0.0007
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0076 0.0076
Brugia malayi Carboxylesterase family protein 0.0429 0.1626 0.162
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0595 0.3346
Echinococcus multilocularis BC026374 protein (S09 family) 0.0429 0.1626 0.1626
Trypanosoma brucei glucosidase, putative 0.0044 0.0097 0.0159
Loa Loa (eye worm) hypothetical protein 0.0021 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0203 0.073 0.0723
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0129 0.0129

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5858 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) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 3.9507 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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