Detailed information for compound 1608384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.418 | Formula: C19H23N5O2
  • H donors: 2 H acceptors: 2 LogP: 1.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C(=N\N=C\c1c(O)n(c2c1ccc(c2)C1=NNC(=O)CC1)CC)/C
  • InChi: 1S/C19H23N5O2/c1-4-12(3)21-20-11-15-14-7-6-13(16-8-9-18(25)23-22-16)10-17(14)24(5-2)19(15)26/h6-7,10-11,26H,4-5,8-9H2,1-3H3,(H,23,25)/b20-11+,21-12-
  • InChiKey: XYFHRLDFNOKNQV-PXQYURKDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL 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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum importin/karyopherin 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
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana 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
Toxoplasma gondii 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
Babesia bovis importin beta 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans 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
Theileria parva importin beta, 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
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica hypothetical protein 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus GTP binding nuclear protein Ran 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Schistosoma mansoni ran 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit 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
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative 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
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis GTP-binding protein, putative 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, 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 aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei importin beta-1 subunit, 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis GTP-binding nuclear protein Ran 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
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein 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 donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum 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 hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Leishmania donovani 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0147 0.0444
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0698 0.0591
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2209 0.2119
Loa Loa (eye worm) hypothetical protein 0.0109 0.1137 0.2613
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0698 0.0591
Onchocerca volvulus 0.0286 0.3302 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0227 0.8822
Schistosoma mansoni hypothetical protein 0.0109 0.1137 0.1034
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2209 0.2119
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0115 0.1009
Brugia malayi RNA, U transporter 1 0.0099 0.1013 0.2337
Entamoeba histolytica Ran family GTPase 0.0026 0.0115 0.3419
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0227 0.1998
Brugia malayi Protein kinase domain containing protein 0.011 0.1153 0.266
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.011 0.1153 0.265
Schistosoma mansoni rap gtpase-activating protein 0.0109 0.1137 0.1034
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0698 0.0591
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0335 0.295
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2209 0.5077
Brugia malayi MH2 domain containing protein 0.0144 0.1565 0.3612
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0335 0.1016
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0109 0.1137 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2209 0.5097
Schistosoma mansoni importin beta-1 0.0035 0.0227 0.0114
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0115 0.1009
Echinococcus granulosus snurportin 1 0.0372 0.435 0.4285
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0335 0.295
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0115 0.1009
Echinococcus granulosus protein kinase 0.0261 0.2998 0.2917
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0698 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0698 0.0591
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0698 1
Echinococcus granulosus Vam6:Vps39 protein 0.0109 0.1137 0.1034
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0242 0.0129
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0109 0.1137 0.1034
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0335 0.1016
Plasmodium falciparum importin beta, putative 0.0035 0.0227 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0335 0.1016
Schistosoma mansoni protein kinase 0.011 0.1153 0.105
Leishmania major GTP-binding protein, putative 0.0026 0.0115 0.1641
Schistosoma mansoni protein kinase 0.0261 0.2998 0.2917
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0242 0.0129
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1565 0.3598
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0115 0.0264
Brugia malayi Pre-SET motif family protein 0.0036 0.0242 0.0559
Loa Loa (eye worm) hypothetical protein 0.0035 0.0227 0.0522
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0335 0.378
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0335 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3302 1
Trichomonas vaginalis ran, putative 0.0026 0.0115 0.0347
Plasmodium vivax SET domain protein, putative 0.0036 0.0242 1
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.011 0.1153 0.105
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0698 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0226 0.0113
Leishmania major importin beta-1 subunit, putative 0.0028 0.0147 0.2098
Schistosoma mansoni serine/threonine protein kinase 0.011 0.1153 0.105
Entamoeba histolytica hypothetical protein 0.0028 0.0147 0.4371
Schistosoma mansoni alpha glucosidase 0.0044 0.0335 0.0223
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0109 0.1137 0.1034
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0335 0.1016
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0242 0.0129
Schistosoma mansoni vam6/vps39 related 0.0109 0.1137 0.1034
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0335 0.0223
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.435 1
Onchocerca volvulus 0.0109 0.1137 0.3442
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.011 0.1153 0.105
Onchocerca volvulus 0.0036 0.0242 0.0733
Trypanosoma brucei glucosidase, putative 0.0044 0.0335 0.295
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0242 0.0129
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.011 0.1153 0.105
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0698 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0335 0.1016
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0698 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.011 0.1153 0.105
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0335 1
Echinococcus multilocularis snurportin 1 0.0372 0.435 0.4285
Schistosoma mansoni alpha-glucosidase 0.0169 0.1874 0.1779
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0335 0.4801
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.011 0.1153 0.105
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0335 0.0771
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0109 0.1137 0.1034
Brugia malayi Importin beta-1 subunit 0.0035 0.0227 0.0524
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0109 0.1137 1
Brugia malayi probable protein kinase 0.037 0.4334 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0372 0.435 0.4285
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0698 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0335 0.1016
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0147 0.0444
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0115 0.5
Brugia malayi hypothetical protein 0.0109 0.1137 0.2623
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0147 0.0444
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0227 0.1927
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0369 0.4318 0.4252
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0261 0.2998 0.6892
Echinococcus multilocularis 0.0261 0.2998 0.2917
Echinococcus granulosus importin subunit beta 1 0.0035 0.0227 0.0114
Onchocerca volvulus 0.0114 0.1194 0.3615
Brugia malayi Pre-SET motif family protein 0.0251 0.2877 0.6638
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0109 0.1137 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0242 0.0129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0242 0.0129
Schistosoma mansoni alpha-glucosidase 0.0169 0.1874 0.1779
Schistosoma mansoni protein kinase 0.037 0.4334 0.4268
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.0557
Brugia malayi Temporarily assigned gene name protein 59 0.0109 0.1137 0.2623
Schistosoma mansoni serine/threonine protein kinase 0.011 0.1153 0.105
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0335 0.1016
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0227 0.1998
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0109 0.1137 0.1034
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0147 0.1289
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0335 0.1016
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0115 0.0265
Loa Loa (eye worm) hypothetical protein 0.0109 0.1137 0.2613
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0242 0.2185
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0335 0.1016
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2209 0.2119
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.011 0.1153 0.105
Loa Loa (eye worm) hypothetical protein 0.0109 0.1137 0.2613
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0335 0.0774
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1565 0.3598
Loa Loa (eye worm) hypothetical protein 0.0369 0.4318 0.9924
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0335 0.0223
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2877 0.6613
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0227 0.0114
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0242 0.0129

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 8.1995 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) 8.9125 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) 10.4179 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) 10.4179 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 Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 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) 21.3313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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