Detailed information for compound 1256602

Basic information

Technical information
  • TDR Targets ID: 1256602
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-etho xyphenyl)-2,5-dioxopyrrolidin-3-yl]propanamid e
  • MW: 454.516 | Formula: C25H30N2O6
  • H donors: 0 H acceptors: 3 LogP: 3.04 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1)N1C(=O)CC(C1=O)N(C(=O)CC)CCc1ccc(c(c1)OC)OC
  • InChi: 1S/C25H30N2O6/c1-5-23(28)26(13-12-17-10-11-21(31-3)22(14-17)32-4)20-16-24(29)27(25(20)30)18-8-7-9-19(15-18)33-6-2/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3
  • InChiKey: IJMGJSVAHLTLDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]propanamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]propanamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(3-ethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]propionamide
  • MLS000036294
  • SMR000037844
  • STOCK3S-18088
  • MLS001073869

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0197 0.0228
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.1251 0.2325
Onchocerca volvulus Matrilysin homolog 0.0363 0.2473 0.3227
Loa Loa (eye worm) hypothetical protein 0.0047 0.0139 0.0158
Schistosoma mansoni eyes absent homolog 0.0074 0.0336 0.0758
Echinococcus granulosus Protein patched homolog 1 0.0035 0.0053 0.0006
Mycobacterium tuberculosis Conserved hypothetical protein 0.0395 0.2712 0.6711
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1177 0.8485 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0709 0.1161
Loa Loa (eye worm) hypothetical protein 0.0124 0.0709 0.1161
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Loa Loa (eye worm) hypothetical protein 0.0363 0.2473 0.426
Brugia malayi RNA, U transporter 1 0.0099 0.0523 0.0917
Schistosoma mansoni transcription factor LCR-F1 0.0055 0.0198 0.04
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0447 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0336 0.0504
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0055 0.0198 0.015
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0058 0.0012
Brugia malayi cytoplasmic intermediate filament protein 0.0052 0.0177 0.0248
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0053 0.0195
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0778 0.5537 0.5515
Brugia malayi Matrixin family protein 0.0363 0.2473 0.4688
Toxoplasma gondii exonuclease III APE 0.0046 0.013 0.2055
Echinococcus multilocularis protein patched 0.0035 0.0053 0.0004
Loa Loa (eye worm) hypothetical protein 0.0097 0.0511 0.0812
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.0197 0.0399
Loa Loa (eye worm) MH2 domain-containing protein 0.0104 0.0559 0.0897
Loa Loa (eye worm) hypothetical protein 0.0363 0.2473 0.426
Trichomonas vaginalis peptide N-glycanase, putative 0.0395 0.2712 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Echinococcus multilocularis Transglutaminase 0.0395 0.2712 0.2677
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0089 0.0447 0.1081
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0567 0.3978 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0363 0.2473 0.6303
Entamoeba histolytica hypothetical protein 0.0055 0.0198 0.4929
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1648 0.2811
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0089 0.0447 0.077
Trichomonas vaginalis esterase, putative 0.0089 0.0447 0.1647
Echinococcus granulosus Niemann Pick C1 protein 0.0083 0.0401 0.0418
Echinococcus multilocularis lamin 0.0097 0.0511 0.0465
Mycobacterium ulcerans hypothetical protein 0.0395 0.2712 0.8822
Echinococcus multilocularis protein dispatched 1 0.004 0.009 0.0041
Brugia malayi MH2 domain containing protein 0.0104 0.0559 0.0987
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0072 0.032 0.0477
Entamoeba histolytica hypothetical protein 0.0055 0.0198 0.4929
Mycobacterium tuberculosis Probable lipase LipD 0.0089 0.0447 0.0822
Loa Loa (eye worm) hypothetical protein 0.0074 0.0336 0.0504
Echinococcus multilocularis sterol regulatory element binding protein 0.0035 0.0053 0.0004
Brugia malayi Matrixin family protein 0.0735 0.5219 1
Schistosoma mansoni hypothetical protein 0.0395 0.2712 0.6925
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.032 0.0273
Trichomonas vaginalis ap endonuclease, putative 0.0046 0.013 0.0481
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0058 0.0228
Echinococcus multilocularis GPCR, family 2 0.0063 0.0253 0.0205
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0047 0.0139 0.0108
Onchocerca volvulus 0.0089 0.0447 0.052
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0058 0.0037
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0442 0.3057 0.7607
Schistosoma mansoni patched 1 0.0035 0.0053 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.032 0.0322
Mycobacterium tuberculosis Long conserved protein 0.0395 0.2712 0.6711
Schistosoma mansoni hypothetical protein 0.0372 0.2538 0.6473
Onchocerca volvulus 0.0089 0.0447 0.052
Brugia malayi Hemopexin family protein 0.0372 0.2538 0.4815
Mycobacterium tuberculosis Conserved hypothetical protein 0.0395 0.2712 0.6711
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0083 0.0401 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0046 0.013 0.292
Brugia malayi beta-lactamase family protein 0.0089 0.0447 0.077
Onchocerca volvulus Matrilysin homolog 0.0805 0.5738 0.759
Schistosoma mansoni hypothetical protein 0.0063 0.0253 0.0544
Brugia malayi exodeoxyribonuclease III family protein 0.0046 0.013 0.0158
Loa Loa (eye worm) hypothetical protein 0.0035 0.0053 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.0197 0.0399
Mycobacterium tuberculosis Hypothetical protein 0.0395 0.2712 0.6711
Loa Loa (eye worm) transcription factor SMAD2 0.0104 0.0559 0.0897
Schistosoma mansoni hypothetical protein 0.0556 0.3897 1
Onchocerca volvulus 0.0363 0.2473 0.3227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0058 0.0037
Mycobacterium leprae Conserved hypothetical protein 0.0395 0.2712 0.8679
Echinococcus granulosus GPCR family 2 0.0063 0.0253 0.0243
Schistosoma mansoni ap endonuclease 0.0046 0.013 0.0226
Schistosoma mansoni intermediate filament proteins 0.0097 0.0511 0.1213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.032 0.0717
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0089 0.0447 0.1046
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0253 0.0205
Echinococcus multilocularis muscleblind protein 0.0124 0.0709 0.0664
Brugia malayi Thioredoxin family protein 0.0395 0.2712 0.5151
Onchocerca volvulus 0.0372 0.2538 0.3315
Echinococcus multilocularis muscleblind protein 1 0.0124 0.0709 0.0664
Loa Loa (eye worm) intermediate filament protein 0.0097 0.0511 0.0812
Schistosoma mansoni lamin 0.0097 0.0511 0.1213
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1177 0.8485 0.8478
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0046 0.013 0.0098
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.0789 0.1432
Brugia malayi Niemann-Pick C1 protein precursor 0.0083 0.0401 0.0681
Trichomonas vaginalis D-aminoacylase, putative 0.0089 0.0447 0.1647
Schistosoma mansoni hypothetical protein 0.0063 0.0253 0.0544
Trichomonas vaginalis D-aminoacylase, putative 0.0089 0.0447 0.1647
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0253 0.0205
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0055 0.0198 0.0177
Echinococcus multilocularis Niemann Pick C1 protein 0.0083 0.0401 0.0354
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0253 0.0243
Loa Loa (eye worm) hypothetical protein 0.0045 0.0125 0.0135
Trichomonas vaginalis penicillin-binding protein, putative 0.0089 0.0447 0.1647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.032 0.0717
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0089 0.0447 0.07
Brugia malayi hypothetical protein 0.0055 0.0198 0.0288
Schistosoma mansoni hypothetical protein 0.0556 0.3897 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0089 0.0447 0.0822
Loa Loa (eye worm) hypothetical protein 0.0083 0.0401 0.0619
Loa Loa (eye worm) hypothetical protein 0.0135 0.0789 0.1301
Echinococcus multilocularis musashi 0.0097 0.0511 0.0465
Loa Loa (eye worm) hypothetical protein 0.0363 0.2473 0.426
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0089 0.0447 0.0822
Schistosoma mansoni lipoxygenase 0.004 0.0088 0.0114
Onchocerca volvulus 0.0089 0.0447 0.052
Onchocerca volvulus 0.1049 0.7541 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0072 0.032 0.0525
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0178 0.1105 0.1856
Onchocerca volvulus Matrix metalloproteinase homolog 0.0805 0.5738 0.759
Echinococcus granulosus tachykinin peptides receptor 99D 0.0778 0.5537 0.6506
Leishmania major hypothetical protein, conserved 0.0089 0.0447 1
Brugia malayi Matrixin family protein 0.0363 0.2473 0.4688
Brugia malayi Matrixin family protein 0.0363 0.2473 0.4688
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0442 0.3057 0.5818
Treponema pallidum exodeoxyribonuclease (exoA) 0.0046 0.013 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0089 0.0447 1
Plasmodium vivax hypothetical protein, conserved 0.0089 0.0447 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0058 0.0018
Loa Loa (eye worm) hypothetical protein 0.0198 0.1251 0.2113
Loa Loa (eye worm) hypothetical protein 0.0442 0.3057 0.5287
Giardia lamblia Transglutaminase/protease, putative 0.0395 0.2712 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0049 0.0001
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0046 0.013 0.0082
Schistosoma mansoni hypothetical protein 0.0372 0.2537 0.6471
Echinococcus multilocularis Niemann Pick C1 protein 0.0118 0.0662 0.0617
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0046 0.013 0.3254
Loa Loa (eye worm) hypothetical protein 0.0036 0.0058 0.0016
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0046 0.013 0.2055
Mycobacterium ulcerans hydrolase 0.0442 0.3057 1
Schistosoma mansoni hypothetical protein 0.0055 0.0198 0.04
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0253 0.0395
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0046 0.013 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0097 0.0511 0.0894
Trichomonas vaginalis penicillin-binding protein, putative 0.0089 0.0447 0.1647
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0097 0.0511 0.0812
Onchocerca volvulus 0.0097 0.0511 0.0606
Brugia malayi Muscleblind-like protein 0.0124 0.0709 0.1277
Mycobacterium ulcerans hypothetical protein 0.0395 0.2712 0.8822
Echinococcus multilocularis lamin dm0 0.0097 0.0511 0.0465
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0089 0.0447 0.0822
Mycobacterium tuberculosis Probable lipase LipE 0.0089 0.0447 0.0822
Loa Loa (eye worm) hypothetical protein 0.0096 0.0498 0.0789
Mycobacterium tuberculosis Conserved protein 0.0395 0.2712 0.6711
Toxoplasma gondii ABC1 family protein 0.0089 0.0447 1
Schistosoma mansoni hypothetical protein 0.0063 0.0253 0.0544
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0046 0.013 0.2055
Brugia malayi beta-lactamase family protein 0.0089 0.0447 0.077
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0197 0.0228
Mycobacterium ulcerans lipase LipD 0.0089 0.0447 0.1081
Schistosoma mansoni lamin 0.0097 0.0511 0.1213
Echinococcus multilocularis geminin 0.0556 0.3897 0.3868
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0052 0.0177 0.0225
Schistosoma mansoni importin beta-1 0.0035 0.0049 0.0013
Brugia malayi CHE-14 protein 0.0035 0.0053 0.0008
Echinococcus multilocularis beta LACTamase domain containing family member 0.0089 0.0447 0.04
Brugia malayi intermediate filament protein 0.0097 0.0511 0.0894
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0035 0.0053 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0089 0.0447 0.1647
Mycobacterium ulcerans hypothetical protein 0.0089 0.0447 0.1081
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0085 0.0417 0.0968
Mycobacterium ulcerans esterase/lipase LipP 0.0089 0.0447 0.1081
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0046 0.013 0.0144
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Brugia malayi Matrixin family protein 0.0363 0.2473 0.4688
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0055 0.0197 0.0174
Mycobacterium tuberculosis Conserved protein 0.0089 0.0447 0.0822
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.0197 0.0228
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0447 1
Onchocerca volvulus 0.0097 0.0511 0.0606
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0058 0.0037
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0046 0.013 0.292
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1905 0.7022
Entamoeba histolytica hypothetical protein 0.0055 0.0198 0.4929
Echinococcus granulosus intermediate filament protein 0.0097 0.0511 0.0549
Brugia malayi hypothetical protein 0.0074 0.0336 0.0555
Giardia lamblia Hypothetical protein 0.0395 0.2712 1
Echinococcus granulosus Niemann Pick C1 protein 0.0118 0.0662 0.0728
Echinococcus multilocularis snurportin 1 0.0372 0.2537 0.2501
Brugia malayi follicle stimulating hormone receptor 0.0178 0.1105 0.2043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0058 0.0009
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0055 0.0197 0.0149
Mycobacterium ulcerans transglutaminase family protein 0.0395 0.2712 0.8822
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0253 0.0243
Mycobacterium ulcerans beta-lactamase 0.0089 0.0447 0.1081
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2537 0.4374
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0253 0.0395
Echinococcus granulosus expressed conserved protein 0.0077 0.0364 0.0375
Mycobacterium tuberculosis Probable hydrolase 0.0089 0.0447 0.0822
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0084 0.041 0.0952
Echinococcus granulosus geminin 0.0556 0.3897 0.4562
Loa Loa (eye worm) matrix metalloproteinase 0.0363 0.2473 0.426
Brugia malayi beta-lactamase 0.0089 0.0447 0.077
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0046 0.013 0.292
Loa Loa (eye worm) matrixin family protein 0.0805 0.5738 1
Entamoeba histolytica hypothetical protein 0.0055 0.0198 0.4929
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0058 0.0009
Mycobacterium tuberculosis Probable esterase LipL 0.0089 0.0447 0.0822
Echinococcus granulosus muscleblind protein 0.0124 0.0709 0.0784
Mycobacterium tuberculosis Conserved protein 0.0089 0.0447 0.0822
Echinococcus granulosus lamin dm0 0.0097 0.0511 0.0549
Trichomonas vaginalis ap endonuclease, putative 0.0046 0.013 0.0481
Toxoplasma gondii aldehyde dehydrogenase 0.0055 0.0197 0.3735
Loa Loa (eye worm) matrixin family protein 0.0735 0.5219 0.9088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0072 0.032 0.0322
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.1251 0.2325
Schistosoma mansoni ap endonuclease 0.0046 0.013 0.0226
Echinococcus multilocularis expressed conserved protein 0.0077 0.0364 0.0317
Echinococcus granulosus sterol regulatory element binding protein 0.0035 0.0053 0.0006
Loa Loa (eye worm) hypothetical protein 0.0043 0.0112 0.0111
Loa Loa (eye worm) hypothetical protein 0.0089 0.0447 0.07
Onchocerca volvulus 0.0286 0.1905 0.2468
Schistosoma mansoni hypothetical protein 0.0063 0.0253 0.0544
Echinococcus granulosus arachidonate 5 lipoxygenase 0.004 0.0088 0.0047
Schistosoma mansoni hypothetical protein 0.0135 0.0789 0.1934
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.1251 0.2113
Mycobacterium leprae PROBABLE HYDROLASE 0.0442 0.3057 1
Loa Loa (eye worm) beta-lactamase 0.0089 0.0447 0.07
Mycobacterium tuberculosis Conserved protein 0.0089 0.0447 0.0822
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.004 0.0088 0.0039
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0055 0.0197 0.4417
Echinococcus granulosus Transglutaminase 0.0395 0.2712 0.3158
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0055 0.0197 0.0177
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0253 0.0359
Brugia malayi Pre-SET motif family protein 0.0251 0.1648 0.3093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0072 0.032 0.0717
Mycobacterium ulcerans putative transglutaminase-like protein 0.0395 0.2712 0.8822
Echinococcus granulosus beta LACTamase domain containing family member 0.0089 0.0447 0.0473
Plasmodium vivax SET domain protein, putative 0.0036 0.0058 0.0228
Loa Loa (eye worm) hypothetical protein 0.0063 0.0253 0.0359
Loa Loa (eye worm) hypothetical protein 0.0045 0.0125 0.0135
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0058 0.0037
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0089 0.0447 0.1046
Echinococcus granulosus snurportin 1 0.0372 0.2537 0.2951
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0072 0.032 0.0273
Mycobacterium leprae Conserved hypothetical protein 0.0395 0.2712 0.8679
Echinococcus granulosus lamin 0.0097 0.0511 0.0549
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0046 0.013 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0047 0.0139 0.009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.01 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 5.8584 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) 14.1254 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) = 25.1189 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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