Detailed information for compound 1424608

Basic information

Technical information
  • TDR Targets ID: 1424608
  • Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen -2-ylsulfonylpiperazin-1-yl)acetamide
  • MW: 439.549 | Formula: C19H25N3O5S2
  • H donors: 1 H acceptors: 3 LogP: 1.68 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC(=O)CN2CCN(CC2)S(=O)(=O)c2cccs2)ccc1OC
  • InChi: 1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)13-20-18(23)14-21-7-9-22(10-8-21)29(24,25)19-4-3-11-28-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)
  • InChiKey: OLOFNHUGRWJZMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide
  • N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-thienylsulfonyl)-1-piperazinyl]acetamide
  • N-(3,4-dimethoxybenzyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide
  • N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide
  • MLS000774655
  • SMR000372409
  • T0520-0411

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, 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
Schistosoma japonicum Importin subunit 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 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
Trypanosoma cruzi 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Importin subunit beta, putative 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
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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein 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
Plasmodium vivax importin-beta 2, putative 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GPCR family 2 0.0081 0.0675 0.1408
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0142 0.1927
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1103 0.1313
Loa Loa (eye worm) hypothetical protein 0.0081 0.0675 0.0787
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.1308 0.1566
Loa Loa (eye worm) hypothetical protein 0.0266 0.2789 0.3389
Mycobacterium tuberculosis Conserved protein 0.0035 0.0142 0.0017
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0171 0.0165
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0583 0.0649
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0036 0.0076
Loa Loa (eye worm) hypothetical protein 0.0257 0.269 0.3268
Brugia malayi hypothetical protein 0.0032 0.0113 0.0094
Schistosoma mansoni ran 0.0026 0.0036 0.0076
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0806 0.8984 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0734 0.8158 1
Onchocerca volvulus 0.0054 0.0364 0.0476
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0583 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0675 0.1408
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0171 0.019
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1103 0.1313
Echinococcus multilocularis vesicular acetylcholine transporter 0.0441 0.4795 0.5337
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0096 0.0073
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0142 0.0131
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0061 0.0127
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0583 0.1217
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0734 0.8158 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0171 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0142 0.013
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0142 0.3786
Echinococcus granulosus lamin 0.0058 0.0403 0.0839
Leishmania major hypothetical protein, conserved 0.0035 0.0142 0.0131
Mycobacterium tuberculosis Conserved protein 0.0035 0.0142 0.0017
Brugia malayi Serotonin receptor 0.0451 0.4918 0.6011
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0403 0.0451
Brugia malayi vesicular acetylcholine transporter unc-17 0.0441 0.4795 0.586
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1308 0.2728
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0171 0.0165
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0142 0.0131
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Echinococcus granulosus lamin dm0 0.0058 0.0403 0.0839
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0317 1
Schistosoma mansoni lamin 0.0058 0.0403 0.0839
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0142 0.79
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0142 0.79
Leishmania major hypothetical protein, conserved 0.005 0.0317 0.0345
Brugia malayi hypothetical protein 0.0266 0.2789 0.3389
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0403 0.0451
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0171 0.0165
Toxoplasma gondii ABC1 family protein 0.0035 0.0142 0.1938
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0675 0.0787
Trichomonas vaginalis esterase, putative 0.0035 0.0142 0.79
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0317 0.0345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1308 0.1456
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0583 0.0447
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0171 0.0029
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0066 0.2228
Loa Loa (eye worm) hypothetical protein 0.0058 0.0403 0.0451
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0066 0.2228
Onchocerca volvulus 0.0058 0.0403 0.0559
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0171 0.5
Onchocerca volvulus 0.0058 0.0403 0.0559
Schistosoma mansoni hypothetical protein 0.0081 0.0675 0.1408
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0142 0.79
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0675 0.0787
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0171 0.2454
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.2298 0.2199
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0142 0.0131
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0583 0.1217
Echinococcus granulosus vesicular acetylcholine transporter 0.0441 0.4795 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0142 0.79
Schistosoma mansoni hypothetical protein 0.0176 0.1758 0.3666
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0317 0.5121
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0317 1
Schistosoma mansoni hypothetical protein 0.0081 0.0675 0.1408
Schistosoma mansoni ran 0.0026 0.0036 0.0076
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0171 0.0356
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0066 0.2228
Brugia malayi Importin beta-1 subunit 0.0035 0.0142 0.013
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0036 0.0041
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.013
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0317 0.0345
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0583 0.0674
Brugia malayi beta-lactamase family protein 0.0035 0.0142 0.0131
Schistosoma mansoni inositol monophosphatase 0.0037 0.0171 0.0356
Schistosoma mansoni importin beta-1 0.0035 0.0142 0.0296
Schistosoma mansoni lamin 0.0058 0.0403 0.0839
Loa Loa (eye worm) inositol-1 0.0037 0.0171 0.0165
Mycobacterium leprae Probable lipase LipE 0.0035 0.0142 1
Echinococcus multilocularis musashi 0.0058 0.0403 0.0448
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0142 0.0017
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0142 0.0159
Echinococcus multilocularis lamin dm0 0.0058 0.0403 0.0448
Loa Loa (eye worm) hypothetical protein 0.005 0.0317 0.0345
Schistosoma mansoni inositol monophosphatase 0.0037 0.0171 0.0356
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0096 0.0073
Echinococcus multilocularis snurportin 1 0.0372 0.4005 0.4459
Mycobacterium tuberculosis Conserved protein 0.0035 0.0142 0.0017
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0171 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0142 0.0131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1308 0.2728
Loa Loa (eye worm) hypothetical protein 0.0375 0.4044 0.4934
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0171 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0441 0.4795 0.586
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0142 0.0017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0142 0.0297
Brugia malayi beta-lactamase 0.0035 0.0142 0.0131
Plasmodium vivax importin-beta 2, putative 0.0035 0.0142 0.3764
Leishmania major importin beta-1 subunit, putative 0.0028 0.0066 0.0037
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0142 0.0158
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0257 0.269 0.3268
Echinococcus granulosus intermediate filament protein 0.0058 0.0403 0.0839
Schistosoma mansoni hypothetical protein 0.0054 0.0364 0.0759
Schistosoma mansoni intermediate filament proteins 0.0058 0.0403 0.0839
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0583 0.0447
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0036 0.5
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0066 0.0037
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0142 0.0017
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4005 0.4887
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1308 0.1456
Echinococcus multilocularis lamin 0.0058 0.0403 0.0448
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Loa Loa (eye worm) hypothetical protein 0.0027 0.0049 0.0015
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0583 0.0463
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1308 0.2728
Brugia malayi Inositol-1 0.0037 0.0171 0.0165
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0142 0.0017
Brugia malayi latrophilin 2 splice variant baaae 0.0176 0.1758 0.2119
Schistosoma mansoni survival motor neuron protein 0.0054 0.0364 0.0759
Entamoeba histolytica hypothetical protein 0.0028 0.0066 0.2228
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0142 0.0017
Schistosoma mansoni hypothetical protein 0.0081 0.0675 0.1408
Mycobacterium ulcerans short chain dehydrogenase 0.0894 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0403 0.0451
Plasmodium falciparum importin beta, putative 0.0035 0.0142 0.3764
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0142 0.0297
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0364 0.0403
Loa Loa (eye worm) hypothetical protein 0.0028 0.0061 0.003
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0734 0.8158 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0257 0.269 0.3268
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0583 0.0447
Echinococcus granulosus importin subunit beta 1 0.0035 0.0142 0.0296
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0142 0.0017
Loa Loa (eye worm) hypothetical protein 0.0035 0.0142 0.0131
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0675 0.0752
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0142 0.79
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0142 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0142 0.0131
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0675 0.0752
Loa Loa (eye worm) hypothetical protein 0.0056 0.039 0.0436
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0675 0.0787
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0441 0.4795 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0675 0.1408
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.1308 0.1566
Leishmania major C-8 sterol isomerase-like protein 0.0734 0.8158 1
Schistosoma mansoni hypothetical protein 0.0081 0.0675 0.1408
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0317 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0441 0.4795 1
Brugia malayi beta-lactamase family protein 0.0035 0.0142 0.0131
Loa Loa (eye worm) hypothetical protein 0.0176 0.1758 0.2119
Brugia malayi intermediate filament protein 0.0058 0.0403 0.0451
Echinococcus granulosus survival motor neuron protein 1 0.0266 0.2789 0.5816
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0317 0.0345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0142 0.0297
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0583 0.1217
Loa Loa (eye worm) hypothetical protein 0.0027 0.0049 0.0015
Schistosoma mansoni hypothetical protein 0.0372 0.4005 0.8353
Echinococcus granulosus snurportin 1 0.0372 0.4005 0.8353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0257 0.269 0.3268
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0142 0.013
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0171 0.0165
Loa Loa (eye worm) beta-lactamase 0.0035 0.0142 0.0131
Loa Loa (eye worm) hypothetical protein 0.0734 0.8158 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0171 1
Brugia malayi RNA, U transporter 1 0.0099 0.0878 0.1036
Brugia malayi MH2 domain containing protein 0.0119 0.1103 0.1313
Echinococcus multilocularis GPCR, family 2 0.0081 0.0675 0.0752
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0061 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1308 0.2728
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0142 0.0017
Echinococcus multilocularis survival motor neuron protein 1 0.0266 0.2789 0.3104
Brugia malayi hypothetical protein 0.005 0.0317 0.0345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1308 0.2728

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1042 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) 2.3109 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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