Detailed information for compound 1363955

Basic information

Technical information
  • TDR Targets ID: 1363955
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2- oxo-1H-quinolin-3-yl)methyl]furan-2-carboxami de
  • MW: 430.453 | Formula: C25H22N2O5
  • H donors: 1 H acceptors: 3 LogP: 4.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc2c(c1)cc(c(n2)O)CN(C(=O)c1ccco1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C25H22N2O5/c1-2-16-5-7-20-18(10-16)12-19(24(28)26-20)14-27(25(29)22-4-3-9-30-22)13-17-6-8-21-23(11-17)32-15-31-21/h3-12H,2,13-15H2,1H3,(H,26,28)
  • InChiKey: HJWNWGBVAHIYOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-furancarboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-2-furamide
  • Furan-2-carboxylic acid benzo[1,3]dioxol-5-ylmethyl-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
  • MLS000073629
  • SMR000004043
  • ASN 05103154
  • Oprea1_224413
  • ZINC01359366

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL 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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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
Trypanosoma cruzi 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
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, 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
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein 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
Candida albicans karyopherin-beta 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran 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 knowlesi GTP-binding nuclear protein RAN/TC4, putative 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, 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
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 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
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, 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
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Leishmania mexicana GTP-binding protein, putative 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
Leishmania mexicana 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
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii HEAT repeat-containing 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
Plasmodium berghei importin beta, 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
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
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 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
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania major GTP-binding protein, putative 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
Entamoeba histolytica hypothetical protein 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, 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
Entamoeba histolytica Ran family GTPase 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
Echinococcus multilocularis GTP binding nuclear protein Ran 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 IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative 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
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum importin/karyopherin 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
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania major 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Ran, Ras family GTP-binding protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0077 0.0231 0.0207
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0064 0.018 0.0156
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Echinococcus granulosus snurportin 1 0.0372 0.1419 0.4431
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0084 0.0259 0.0745
Echinococcus granulosus nervana 2 0.0059 0.0158 0.0426
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0063 0.0175 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0047 0.0108 0.2096
Echinococcus granulosus RUN 0.0048 0.0113 0.0282
Loa Loa (eye worm) hypothetical protein 0.0064 0.018 0.0156
Brugia malayi p70 ribosomal S6 kinase beta 0.0123 0.0417 0.0417
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0024 0.0024
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0108 0.0268
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trichomonas vaginalis serine/threonine-protein kinase ypk, putative 0.0048 0.0114 0.2249
Loa Loa (eye worm) hypothetical protein 0.0065 0.0181 0.0158
Trichomonas vaginalis AGC family protein kinase 0.0064 0.018 0.3879
Loa Loa (eye worm) hypothetical protein 0.0073 0.0214 0.019
Toxoplasma gondii AGC kinase 0.0123 0.0417 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0064 0.018 0.0495
Echinococcus granulosus protein kinase c epsilon type 0.0072 0.0212 0.0598
Mycobacterium ulcerans hypothetical protein 0.008 0.0241 0.5
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Echinococcus multilocularis rac serine:threonine kinase 0.0065 0.0184 0.0508
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.0259 0.0745
Leishmania major importin beta-1 subunit, putative 0.0028 0.0035 0.1247
Trypanosoma brucei rac serine-threonine kinase, putative 0.0125 0.0426 1
Brugia malayi hypothetical protein 0.0048 0.0113 0.0113
Schistosoma mansoni lipoxygenase 0.0123 0.0418 0.1251
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0043 0.0482
Schistosoma mansoni protein kinase C mu 0.0077 0.0231 0.0657
Brugia malayi Doublecortin family protein 0.0048 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0047 0.0108 0.5269
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0047 0.0108 0.5269
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0064 0.018 0.0495
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.018 0.0495
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Brugia malayi protein kinase C II. 0.0072 0.0212 0.0212
Echinococcus multilocularis serine:threonine protein kinase N2 0.0064 0.018 0.0495
Echinococcus granulosus importin subunit beta 1 0.0035 0.0061 0.0118
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0047 0.0108 0.0108
Echinococcus multilocularis expressed conserved protein 0.0084 0.0259 0.0745
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0212 0.0598
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0047 0.0108 0.2096
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0063 0.0175 0.6443
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0209 0.0763 0.2349
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.005 0.0123 0.2467
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0035 0.0261
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0059 0.0158 0.0426
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis serine/threonine-protein kinase, putative 0.0048 0.0114 0.2249
Brugia malayi Importin beta-1 subunit 0.0035 0.0061 0.0061
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Echinococcus granulosus serine threonine protein kinase nrc 0.0063 0.0175 0.048
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0113 0.0282
Loa Loa (eye worm) hypothetical protein 0.0048 0.0113 0.0089
Plasmodium vivax importin-beta 2, putative 0.0035 0.0061 0.2452
Entamoeba histolytica hypothetical protein 0.0814 0.3202 1
Echinococcus multilocularis protein kinase c epsilon type 0.0072 0.0212 0.0598
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.2501 1 1
Echinococcus multilocularis protein kinase c iota type 0.0072 0.0212 0.0598
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0047 0.0108 0.5269
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.2179 0.6845
Loa Loa (eye worm) AGC/AKT protein kinase 0.0125 0.0426 0.0403
Entamoeba histolytica protein kinase, putative 0.0125 0.0426 0.1265
Loa Loa (eye worm) AGC/NDR protein kinase 0.0064 0.018 0.0156
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0047 0.0108 0.2143
Brugia malayi Protein kinase domain containing protein 0.0108 0.0357 0.0357
Entamoeba histolytica hypothetical protein 0.0028 0.0035 0.0033
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0113 0.0282
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0108 0.0268
Echinococcus granulosus cGMP dependent protein kinase 1 0.0084 0.0259 0.0745
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0065 0.0184 1
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0212 0.0598
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Brugia malayi hypothetical protein 0.003 0.0043 0.0043
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0064 0.018 0.0495
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Plasmodium falciparum cGMP-dependent protein kinase 0.0084 0.0259 1
Giardia lamblia Kinase, AGC PKA 0.0063 0.0175 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.106 0.1038
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0061 0.0922
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.018 0.0495
Schistosoma mansoni rab6-interacting 0.0048 0.0113 0.0282
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0047 0.0108 0.5575
Loa Loa (eye worm) hypothetical protein 0.0075 0.0222 0.0199
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0072 0.0212 0.0598
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0047 0.0108 0.3592
Echinococcus multilocularis nervana 2 0.0059 0.0158 0.0426
Brugia malayi Protein kinase domain containing protein 0.0064 0.018 0.018
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0043 0.1213
Trichomonas vaginalis AGC family protein kinase 0.0108 0.0357 0.8271
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0047 0.0108 0.2096
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0072 0.0212 0.0189
Schistosoma mansoni hypothetical protein 0.0205 0.0745 0.2292
Entamoeba histolytica PH domain containing protein kinase, putative 0.0065 0.0184 0.0503
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1419 0.1398
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0113 0.0089
Schistosoma mansoni serine/threonine-protein kinase 0.0065 0.0184 0.0508
Leishmania major protein kinase A catalytic subunit isoform 1 0.0047 0.0108 1
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Echinococcus multilocularis serine threonine protein kinase 0.0064 0.018 0.0495
Echinococcus granulosus protein kinase c iota type 0.0072 0.0212 0.0598
Echinococcus granulosus rho-associated protein kinase 1 0.0807 0.3172 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0084 0.0259 0.0235
Schistosoma mansoni loxhd1 0.0048 0.0113 0.0282
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Toxoplasma gondii AGC kinase 0.0047 0.0108 0.2143
Brugia malayi follicle stimulating hormone receptor 0.0283 0.106 0.106
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0077 0.0231 0.0231
Leishmania major hypothetical protein, conserved 0.003 0.0043 0.2302
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0042 0.0091 0.0213
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0104 0.0339 0.7844
Echinococcus multilocularis RUN 0.0048 0.0113 0.0282
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0212 0.0598
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0061 0.0118
Schistosoma mansoni atypical protein kinase C 0.0072 0.0212 0.0598
Entamoeba histolytica PH domain containing protein kinase, putative 0.0049 0.0117 0.0293
Echinococcus granulosus NDR protein kinase 0.0064 0.018 0.0495
Echinococcus multilocularis Glutaredoxin protein 5 0.0059 0.0158 0.0426
Echinococcus granulosus neuropeptide receptor A26 0.056 0.2179 0.6845
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0113 0.0282
Schistosoma mansoni importin beta-1 0.0035 0.0061 0.0118
Schistosoma mansoni polycystin 1-related 0.0048 0.0113 0.0282
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0108 0.0268
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0113 0.5865
Echinococcus multilocularis neuropeptide s receptor 0.056 0.2179 0.6845
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0084 0.0259 0.0745
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0042 0.0091 0.0213
Echinococcus granulosus geminin 0.0205 0.0745 0.2292
Echinococcus granulosus cGMP dependent protein kinase 0.0084 0.0259 0.0745
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.005 0.0123 0.2467
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0061 0.0942
Echinococcus multilocularis serine:threonine protein kinase 38 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.0047 0.0108 0.2096
Onchocerca volvulus 0.0803 0.3155 0.9944
Trichomonas vaginalis cAMP-dependent protein kinase catalytic subunit, putative 0.0048 0.0114 0.2249
Giardia lamblia Kinase, AGC PKA 0.0047 0.0108 0.5575
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Echinococcus multilocularis nervana 2 0.0059 0.0158 0.0426
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0084 0.0259 0.5965
Onchocerca volvulus 0.0075 0.0222 0.0359
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0035 0.0261
Trypanosoma cruzi Protein kinase B 0.0065 0.0184 1
Brugia malayi Egg laying defective protein 4 0.0084 0.0259 0.0259
Loa Loa (eye worm) AGC/PKA protein kinase 0.0047 0.0108 0.0084
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0113 0.0282
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.0259 0.0745
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Schistosoma mansoni lipoxygenase 0.0209 0.0763 0.2349
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0047 0.0108 0.5269
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Entamoeba histolytica PH domain containing protein kinase, putative 0.0049 0.0117 0.0293
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0043 0.0493
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0063 0.0175 0.9451
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0063 0.0175 0.048
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0502 0.0479
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0061 0.0922
Plasmodium falciparum importin beta, putative 0.0035 0.0061 0.158
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0043 0.1213
Schistosoma mansoni serine/threonine-protein kinase 0.0065 0.0184 0.0508
Schistosoma mansoni serine/threonine kinase 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Entamoeba histolytica protein kinase, putative 0.0125 0.0426 0.1265
Loa Loa (eye worm) hypothetical protein 0.0048 0.0113 0.0089
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Echinococcus granulosus cGMP dependent protein kinase 1 0.0084 0.0259 0.0745
Schistosoma mansoni rab6-interacting 0.0048 0.0113 0.0282
Schistosoma mansoni hypothetical protein 0.0048 0.0113 0.0282
Trichomonas vaginalis AGC family protein kinase 0.0108 0.0357 0.8271
Onchocerca volvulus 0.0065 0.0181 0.0224
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Loa Loa (eye worm) hypothetical protein 0.0065 0.0181 0.0158
Schistosoma mansoni serine/threonine protein kinase 0.0807 0.3172 1
Echinococcus multilocularis rho associated protein kinase 0.0807 0.3172 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0043 0.0827
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0059 0.0158 0.0426
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0209 0.0763 0.2349
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0064 0.018 0.0156
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0113 0.0282
Loa Loa (eye worm) AGC/PKN protein kinase 0.0064 0.018 0.0156
Brugia malayi MH2 domain containing protein 0.0144 0.0502 0.0502
Echinococcus granulosus serine/threonine protein kinase 0.0065 0.0184 0.0508
Trichomonas vaginalis AGC family protein kinase 0.011 0.0365 0.8489
Brugia malayi Protein kinase domain containing protein 0.0125 0.0426 0.0426
Leishmania major protein kinase A catalytic subunit isoform 2 0.0047 0.0108 1
Echinococcus granulosus protein kinase C gamma type 0.0064 0.018 0.0495
Echinococcus multilocularis snurportin 1 0.0372 0.1419 0.4431
Toxoplasma gondii AGC kinase 0.0047 0.0108 0.2143
Schistosoma mansoni hypothetical protein 0.0205 0.0745 0.2292
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Loa Loa (eye worm) AGC/PKA protein kinase 0.0047 0.0108 0.0084
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Brugia malayi C1-like domain containing protein 0.0077 0.0231 0.0231
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0047 0.0108 0.0268
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0069 0.0198 0.0175
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.018 0.0495
Brugia malayi RNA, U transporter 1 0.0099 0.032 0.032
Entamoeba histolytica protein kinase, putative 0.0123 0.0417 0.1237
Entamoeba histolytica protein kinase 2, putative 0.0063 0.0175 0.0476
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0037
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0502 0.0479
Echinococcus granulosus neuropeptide s receptor 0.056 0.2179 0.6845
Entamoeba histolytica PH domain containing protein kinase, putative 0.0065 0.0184 0.0503
Leishmania major protein kinase A catalytic subunit 0.0047 0.0108 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0035 0.0261
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Echinococcus multilocularis geminin 0.0205 0.0745 0.2292
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0063 0.0175 0.048
Loa Loa (eye worm) hypothetical protein 0.0047 0.0108 0.0084
Echinococcus granulosus Protein kinase C brain isozyme 0.0072 0.0212 0.0598
Echinococcus multilocularis serine:threonine protein kinase N2 0.0064 0.018 0.0495
Schistosoma mansoni hypothetical protein 0.0372 0.1419 0.4431
Echinococcus granulosus nervana 2 0.0059 0.0158 0.0426
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0113 0.3779
Brugia malayi hypothetical protein 0.0048 0.0113 0.0113
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0113 0.0282
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0035 0.0657
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0043 0.1283
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Echinococcus granulosus Glutaredoxin protein 5 0.0059 0.0158 0.0426
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0123 0.0417 0.0394
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0064 0.018 0.0495
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Brugia malayi Hr1 repeat family protein 0.0064 0.018 0.018
Onchocerca volvulus 0.0073 0.0214 0.033
Trichomonas vaginalis AGC family protein kinase 0.0048 0.0114 0.2249
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0108 0.0357 0.0333
Loa Loa (eye worm) hypothetical protein 0.003 0.0043 0.0019
Onchocerca volvulus 0.0807 0.3172 1
Entamoeba histolytica protein kinase, putative 0.0064 0.018 0.0491
Trichomonas vaginalis AGC family protein kinase 0.005 0.0123 0.2467
Trichomonas vaginalis AGC family protein kinase 0.0125 0.0426 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0043 0.0827

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26.19167 um PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3162 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 2.5929 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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