Detailed information for compound 1438395

Basic information

Technical information
  • TDR Targets ID: 1438395
  • Name: N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(2- methylphenyl)amino]-2-(3,4,5-trimethoxyphenyl )acetamide
  • MW: 569.691 | Formula: C34H39N3O5
  • H donors: 2 H acceptors: 2 LogP: 6.13 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OC)OC)C(N(c1ccccc1C)C(=O)Cc1c[nH]c2c1cccc2)C(=O)NC1CCCCC1
  • InChi: 1S/C34H39N3O5/c1-22-12-8-11-17-28(22)37(31(38)20-24-21-35-27-16-10-9-15-26(24)27)32(34(39)36-25-13-6-5-7-14-25)23-18-29(40-2)33(42-4)30(19-23)41-3/h8-12,15-19,21,25,32,35H,5-7,13-14,20H2,1-4H3,(H,36,39)
  • InChiKey: XJSKQKNNMKIRKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-2-[[2-(1H-indol-3-yl)-1-oxoethyl]-(2-methylphenyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
  • N-cyclohexyl-2-[2-(1H-indol-3-yl)ethanoyl-(2-methylphenyl)amino]-2-(3,4,5-trimethoxyphenyl)ethanamide
  • ASN 04882484
  • MLS000557142
  • N-Cyclohexyl-2-[(2-1H-indol-3-yl-acetyl)-o-tolyl-amino]-2-(3,4,5-trimethoxy-phenyl)-acetamide
  • SMR000172876
  • Oprea1_554248
  • Oprea1_558086

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0322 0.9406 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0843 0.5633
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0661 0.0703
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.7212 0.7212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.1136 0.1208
Trypanosoma brucei prolyl oligopeptidase, putative 0.0051 0.12 0.3333
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0843 0.5633
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0843 0.4662
Trypanosoma brucei prolyl endopeptidase 0.0127 0.3517 1
Brugia malayi Animal haem peroxidase family protein 0.025 0.7226 0.7682
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0661 0.0703
Trypanosoma cruzi trypanothione reductase, putative 0.0024 0.0382 0.0979
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0051 0.12 0.3333
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0024 0.0382 0.0979
Giardia lamblia GTOR 0.0048 0.1136 1
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Toxoplasma gondii thioredoxin reductase 0.0068 0.1724 0.4791
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0592 0.1503
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.1136 0.1208
Onchocerca volvulus 0.0039 0.0843 0.0896
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0538 0.453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0162 0.1099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.1136 0.1136
Schistosoma mansoni hypothetical protein 0.0033 0.0661 0.0703
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0013 0.0074 0.0079
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0084 0.0089
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0843 0.0896
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0538 0.453
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0024 0.0382 0.1867
Plasmodium falciparum glutathione reductase 0.0024 0.0382 0.1867
Echinococcus granulosus thioredoxin glutathione reductase 0.0068 0.1724 0.1833
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0843 0.0896
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.182 0.1935
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0661 0.0703
Entamoeba histolytica hypothetical protein, conserved 0.0013 0.0074 0.0034
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Schistosoma mansoni peroxidasin 0.025 0.7226 0.7682
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0382 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0024 0.0382 0.1867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0162 0.1099
Brugia malayi Animal haem peroxidase family protein 0.025 0.7226 0.7682
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.1136 0.3148
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0017 0.0193 0.0206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0546 0.461
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0843 0.068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0836 0.726
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0843 0.068
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0051 0.12 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0592 0.1582
Onchocerca volvulus 0.025 0.7226 0.7682
Brugia malayi prolyl oligopeptidase family protein 0.0127 0.3517 0.3739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0922 0.8042
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0127 0.3517 0.3739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0462 0.3839
Onchocerca volvulus 0.0039 0.0843 0.0896
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.182 0.5117
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0162 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0461 0.3828
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0546 0.461
Loa Loa (eye worm) hypothetical protein 0.0033 0.0661 0.0661
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0064 0.0201
Schistosoma mansoni hypothetical protein 0.0033 0.0661 0.0703
Brugia malayi beta-lactamase family protein 0.0039 0.0843 0.0896
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0024 0.0382 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0836 0.726
Echinococcus granulosus peroxidasin 0.025 0.7226 0.7682
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4099 0.4358
Mycobacterium tuberculosis Conserved protein 0.0039 0.0843 0.068
Brugia malayi Thioredoxin reductase 0.0068 0.1724 0.1833
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0843 0.2305
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.182 0.1935
Echinococcus multilocularis peroxidasin 0.025 0.7226 0.7682
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.182 0.5117
Echinococcus granulosus prolyl endopeptidase 0.0127 0.3517 0.3739
Mycobacterium tuberculosis Conserved protein 0.0039 0.0843 0.068
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Trypanosoma brucei oligopeptidase b 0.0051 0.12 0.3333
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0843 0.5633
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0013 0.0074 0.0034
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0366 0.2958
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Echinococcus granulosus GPCR family 2 0.0033 0.0661 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0546 0.461
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0281 0.1255
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.1136 0.3148
Onchocerca volvulus Peroxidasin homolog 0.025 0.7226 0.7682
Loa Loa (eye worm) animal heme peroxidase 0.025 0.7226 0.7226
Trypanosoma brucei trypanothione reductase 0.0068 0.1724 0.4839
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0013 0.0074 0.0295
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0382 0.0979
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0127 0.3517 0.3739
Loa Loa (eye worm) RecQ helicase 0.0023 0.0366 0.0366
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Echinococcus granulosus protein cereblon 0.0322 0.9406 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.716 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0843 0.0896
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0843 0.0896
Echinococcus multilocularis prolyl endopeptidase 0.0127 0.3517 0.3739
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0592 0.3137
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.182 0.5117
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0074 0.0034
Loa Loa (eye worm) hypothetical protein 0.0322 0.9406 0.9406
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0013 0.0074 0.0079
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0592 0.1582
Onchocerca volvulus Chorion peroxidase homolog 0.025 0.7226 0.7682
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0661 0.0661
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0843 0.7323
Echinococcus granulosus acylamino acid releasing enzyme 0.0013 0.0074 0.0079
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0364 0.0926
Loa Loa (eye worm) hypothetical protein 0.0018 0.0225 0.0225
Brugia malayi Muscleblind-like protein 0.018 0.5128 0.5452
Schistosoma mansoni hypothetical protein 0.0182 0.5188 0.5516
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0843 0.5633
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0024 0.0382 0.1867
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Loa Loa (eye worm) glutathione reductase 0.0068 0.1724 0.1724
Leishmania major oligopeptidase b 0.0051 0.12 0.3333
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0024 0.0382 0.0406
Onchocerca volvulus 0.025 0.7226 0.7682
Plasmodium falciparum thioredoxin reductase 0.0068 0.1724 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.1136 0.3148
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0162 0.0173
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Loa Loa (eye worm) thioredoxin reductase 0.0068 0.1724 0.1724
Mycobacterium tuberculosis Probable peptidase 0.0051 0.12 0.1207
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.1136 0.1168
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0074 0.0079
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.4099 0.4358
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0366 0.0389
Trichomonas vaginalis esterase, putative 0.0039 0.0843 0.7323
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0013 0.0074 0.0093
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.181 0.1925
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0366 0.2958
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.182 0.182
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0661 0.0703
Schistosoma mansoni hypothetical protein 0.0014 0.0084 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Echinococcus multilocularis GPCR, family 2 0.0033 0.0661 0.0703
Echinococcus granulosus Dipeptidyl peptidase 9 0.0013 0.0074 0.0079
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0162 0.0346
Loa Loa (eye worm) hypothetical protein 0.003 0.0592 0.0592
Onchocerca volvulus Peroxidase homolog 0.025 0.7226 0.7682
Treponema pallidum NADH oxidase 0.0024 0.0382 0.5
Brugia malayi follicle stimulating hormone receptor 0.0249 0.7212 0.7667
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Loa Loa (eye worm) hypothetical protein 0.018 0.5128 0.5128
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0024 0.0382 0.0979
Trichomonas vaginalis glutathione reductase, putative 0.0024 0.0382 0.311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Onchocerca volvulus Protein cereblon homolog 0.0322 0.9406 1
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0013 0.0074 0.0079
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0013 0.0074 0.0079
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0382 0.0979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1136 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.182 0.1899
Trypanosoma cruzi trypanothione reductase, putative 0.0068 0.1724 0.4839
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.182 0.5117
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0843 0.068
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0074 0.0295
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0013 0.0074 0.0079
Brugia malayi hypothetical protein 0.025 0.7226 0.7682
Schistosoma mansoni peroxidasin 0.025 0.7226 0.7682
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.377 0.4008
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0661 0.0703
Loa Loa (eye worm) hypothetical protein 0.0071 0.181 0.181
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0013 0.0074 0.0295
Schistosoma mansoni hypothetical protein 0.0136 0.377 0.4008
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0013 0.0074 0.0079
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0074 0.0034
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.1136 0.3148
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.1136 0.1208
Leishmania major phosphatidylinositol 3-kinase, putative 0.0016 0.0162 0.0346
Loa Loa (eye worm) prolyl oligopeptidase 0.0013 0.0074 0.0074
Echinococcus multilocularis protein cereblon 0.0322 0.9406 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0654 0.5591
Brugia malayi hypothetical protein 0.0322 0.9406 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0661 0.0703
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0013 0.0074 0.0034
Trypanosoma cruzi oligopeptidase b 0.0051 0.12 0.3333
Loa Loa (eye worm) hypothetical protein 0.018 0.5128 0.5128
Trichomonas vaginalis mercuric reductase, putative 0.0024 0.0382 0.311
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0843 0.7323
Echinococcus granulosus muscleblind protein 0.018 0.5128 0.5452
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0013 0.0074 0.0093
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0024 0.0382 0.5
Loa Loa (eye worm) animal heme peroxidase 0.025 0.7226 0.7226
Plasmodium vivax glutathione reductase, putative 0.0068 0.1724 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.022 0.0233
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0761 0.1993
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Plasmodium falciparum thioredoxin reductase 0.0024 0.0382 0.1867
Leishmania major trypanothione reductase 0.0068 0.1724 0.4839
Echinococcus multilocularis thioredoxin glutathione reductase 0.0068 0.1724 0.1833
Brugia malayi hypothetical protein 0.0131 0.3634 0.3864
Onchocerca volvulus Dual oxidase homolog 0.025 0.7226 0.7682
Loa Loa (eye worm) beta-lactamase 0.0039 0.0843 0.0843
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.1136 0.1208
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0074 0.0079
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0382 0.0979
Echinococcus multilocularis acylamino acid releasing enzyme 0.0013 0.0074 0.0079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0843 0.0896
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0837 0.2289
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0162 0.1099
Loa Loa (eye worm) prolyl oligopeptidase 0.0013 0.0074 0.0074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0162 0.1099
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0074 0.0079
Loa Loa (eye worm) animal heme peroxidase 0.025 0.7226 0.7226
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0162 0.0162
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.3114 0.403
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0024 0.0382 0.0894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0837 0.2289
Onchocerca volvulus Peroxidasin homolog 0.025 0.7226 0.7682
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0024 0.0382 0.0979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0462 0.3839
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0127 0.3517 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0024 0.0382 0.29
Onchocerca volvulus 0.025 0.7226 0.7682
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0366 0.0389
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.377 0.4008
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.1136 0.3148
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0843 0.068
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0915 0.0973
Loa Loa (eye worm) animal heme peroxidase 0.025 0.7226 0.7226
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Brugia malayi Animal haem peroxidase family protein 0.025 0.7226 0.7682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0162 0.1099
Echinococcus multilocularis muscleblind protein 1 0.018 0.5128 0.5452
Schistosoma mansoni hypothetical protein 0.0182 0.5188 0.5516
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0382 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0024 0.0382 0.0406
Trypanosoma cruzi prolyl endopeptidase 0.0127 0.3517 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0013 0.0074 0.0093
Toxoplasma gondii ABC1 family protein 0.0039 0.0843 0.2233
Schistosoma mansoni hypothetical protein 0.0033 0.0661 0.0703
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0843 0.2305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0622 0.5301
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0024 0.0382 0.0406
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.182 0.1935
Onchocerca volvulus 0.0039 0.0843 0.0896
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0843 0.068
Schistosoma mansoni hypothetical protein 0.0033 0.0661 0.0703
Toxoplasma gondii prolyl endopeptidase 0.0127 0.3517 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0127 0.3517 0.3739
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0013 0.0074 0.0093
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0051 0.12 0.3333
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Brugia malayi Animal haem peroxidase family protein 0.025 0.7226 0.7682
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0013 0.0074 0.0079
Echinococcus multilocularis geminin 0.0182 0.5188 0.5516
Onchocerca volvulus Peroxidase homolog 0.025 0.7226 0.7682
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0024 0.0382 0.0979
Loa Loa (eye worm) blistered cuticle protein 3 0.025 0.7226 0.7226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1136 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2801 0.2977
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0051 0.12 0.3333
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0592 0.3137
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0016 0.0162 0.0346
Loa Loa (eye worm) hypothetical protein 0.0127 0.3517 0.3517
Plasmodium vivax thioredoxin reductase, putative 0.0068 0.1724 1
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226
Loa Loa (eye worm) hypothetical protein 0.0013 0.0074 0.0074
Brugia malayi beta-lactamase 0.0039 0.0843 0.0896
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0051 0.12 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0279 0.0683
Leishmania major hypothetical protein, conserved 0.003 0.0592 0.1582
Brugia malayi hypothetical protein 0.002 0.0265 0.0282
Brugia malayi Animal haem peroxidase family protein 0.025 0.7226 0.7682
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2801 0.2801
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0016 0.0162 0.0346
Schistosoma mansoni hypothetical protein 0.0071 0.181 0.1925
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0837 0.2289
Leishmania major hypothetical protein, conserved 0.0039 0.0843 0.2305
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.182 0.1935
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0462 0.3839
Echinococcus granulosus geminin 0.0182 0.5188 0.5516
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0016 0.0162 0.0346
Entamoeba histolytica prolyl oligopeptidase family protein 0.0013 0.0074 0.0034
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0382 0.0979
Trypanosoma cruzi oligopeptidase b 0.0051 0.12 0.3333
Brugia malayi beta-lactamase family protein 0.0039 0.0843 0.0896
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0162 0.0173
Mycobacterium tuberculosis Conserved protein 0.0039 0.0843 0.068
Mycobacterium ulcerans beta-lactamase 0.0039 0.0843 0.5633
Brugia malayi hypothetical protein 0.003 0.0592 0.0629
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0592 0.1582
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0017 0.0193 0.0206
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0162 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.1136 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0084 0.0089
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0051 0.12 0.3333
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Mycobacterium ulcerans lipase LipD 0.0039 0.0843 0.5633
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0013 0.0074 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0461 0.3828
Toxoplasma gondii NADPH-glutathione reductase 0.0024 0.0382 0.0894
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0843 0.7323
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0068 0.1724 0.1979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0836 0.726
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2801 0.2977
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0461 0.3828
Loa Loa (eye worm) hypothetical protein 0.0013 0.0074 0.0074
Brugia malayi Peroxidasin 0.025 0.7226 0.7682
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0843 0.7323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0836 0.726
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0592 0.3137
Mycobacterium leprae Probable lipase LipE 0.0039 0.0843 0.5633
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0013 0.0074 0.0079
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0843 0.0843
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0382 0.0979
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0024 0.0382 0.1867
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0051 0.12 0.1207
Entamoeba histolytica hypothetical protein, conserved 0.0322 0.9406 1
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0074 0.0093
Loa Loa (eye worm) hypothetical protein 0.0103 0.2801 0.2801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0761 0.6568
Trypanosoma cruzi hypothetical protein, conserved 0.0013 0.0074 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0462 0.3839
Brugia malayi Blistered cuticle protein 3 0.025 0.7226 0.7682
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0016 0.0162 0.0346
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.1136 0.3148
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0843 0.7323
Brugia malayi prolyl oligopeptidase family protein 0.0013 0.0074 0.0079
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0135 0.0177
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0915 0.0973
Echinococcus multilocularis muscleblind protein 0.018 0.5128 0.5452
Plasmodium falciparum glutathione reductase 0.0068 0.1724 1
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4099 0.4358
Brugia malayi glutathione reductase 0.0068 0.1724 0.1833
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0843 0.2305
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0141 0.0402
Loa Loa (eye worm) hypothetical protein 0.0039 0.0843 0.0843
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0013 0.0074 0.0093
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.1136 0.1168
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0836 0.726
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0843 0.068
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0843 0.068
Echinococcus granulosus bloom syndrome protein 0.0023 0.0366 0.0389
Loa Loa (eye worm) hypothetical protein 0.025 0.7226 0.7226

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 0.7079 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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