Detailed information for compound 1406135

Basic information

Technical information
  • TDR Targets ID: 1406135
  • Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochrom en-7-yl] propanoate
  • MW: 349.337 | Formula: C20H15NO5
  • H donors: 0 H acceptors: 4 LogP: 2.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)OC1(C)C(=O)C=C2C(=COC(=C2)c2ccc(cc2)C#N)C1=O
  • InChi: 1S/C20H15NO5/c1-3-18(23)26-20(2)17(22)9-14-8-16(25-11-15(14)19(20)24)13-6-4-12(10-21)5-7-13/h4-9,11H,3H2,1-2H3
  • InChiKey: LJPCDFSJZNFQGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] propanoate
  • propanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-7-isochromenyl] ester
  • propionic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dna polymerase kappa 0.0023 0.091 0.1296
Schistosoma mansoni kinase 0.0058 0.3247 0.462
Giardia lamblia Kinase, PLK 0.0114 0.7027 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0143 0.0143
Echinococcus granulosus single minded 2 0.0035 0.1692 0.2407
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0423 0.0406
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.087 0.1239
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.7027 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.091 0.1296
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.091 0.1114
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.091 0.0065
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.091 0.1114
Onchocerca volvulus 0.0012 0.0166 0.0236
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.087 0.5
Echinococcus granulosus aryl hydrocarbon receptor 0.0012 0.0166 0.0236
Leishmania major protein kinase, putative 0.0013 0.0191 0.0069
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.2517 0.3582
Brugia malayi hypoxia-induced factor 1 0.0146 0.9174 0.9174
Leishmania major DNA polymerase eta, putative 0.0023 0.091 0.1114
Echinococcus granulosus eukaryotic initiation factor 4A 0.0075 0.4384 0.6239
Echinococcus multilocularis aryl hydrocarbon receptor 0.0012 0.0166 0.0236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.087 0.087
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 0.4384 0.6161
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.087 0.1056
Giardia lamblia DINP protein human, muc B family 0.0023 0.091 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0423 0.0406
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.091 0.1085
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.091 0.4954
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.087 0.1027
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0075 0.4384 0.5708
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.1692 0.2407
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0191 0.0069
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.091 0.1114
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0423 0.0406
Onchocerca volvulus 0.0035 0.1692 0.2407
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0191 0.0069
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.087 0.1056
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.7027 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.4384 0.6149
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.087 0.1056
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0075 0.4384 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7027 1
Brugia malayi bHLH-PAS transcription factor 0.0035 0.1692 0.1692
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 0.4384 0.6161
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.091 0.1296
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.091 0.1114
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.087 0.1239
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0191 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Echinococcus granulosus dna polymerase eta 0.0023 0.091 0.1296
Trypanosoma brucei unspecified product 0.0023 0.091 0.1114
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.4384 0.6149
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0012 0.0166 0.0236
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.7027 1
Trypanosoma brucei unspecified product 0.0016 0.0423 0.0406
Plasmodium falciparum eukaryotic initiation factor 4A 0.0075 0.4384 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Brugia malayi Cytochrome P450 family protein 0.0012 0.0143 0.0143
Echinococcus multilocularis dna polymerase eta 0.0023 0.091 0.1296
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Plasmodium vivax RNA helicase-1, putative 0.0075 0.4384 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Brugia malayi PAS domain containing protein 0.0047 0.2517 0.2517
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0075 0.4384 0.5708
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.091 0.1296
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.091 0.091
Treponema pallidum ATP-dependent RNA helicase 0.0075 0.4384 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.091 0.1296
Brugia malayi Cytochrome P450 family protein 0.0012 0.0143 0.0143
Schistosoma mansoni DNA polymerase eta 0.0023 0.091 0.1296
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0075 0.4384 0.6239
Echinococcus multilocularis dna polymerase kappa 0.0023 0.091 0.1296
Mycobacterium leprae Possible regulatory protein 0.0012 0.0166 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0166 0.0166
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0075 0.4384 0.6239
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0075 0.4384 0.6239
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 0.4384 0.6161
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.091 0.1114
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.3145 0.4343
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.7027 0.7027
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7027 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.3145 0.4343
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.9174 0.9174
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0012 0.0166 0.0236
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.087 0.4696
Leishmania major protein kinase, putative 0.0013 0.0191 0.0069
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.7027 0.7027
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0166 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0143 0.0143
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.091 0.1085
Trypanosoma brucei unspecified product 0.0016 0.0423 0.0406
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0012 0.0166 0.0166
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 0.4384 0.6161
Schistosoma mansoni ap endonuclease 0.0023 0.087 0.1239
Schistosoma mansoni ap endonuclease 0.0023 0.087 0.1239
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0012 0.0166 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0075 0.4384 0.6161
Loa Loa (eye worm) hypothetical protein 0.0023 0.091 0.091
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.4384 0.6149
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0075 0.4384 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.091 0.1114
Schistosoma mansoni single-minded 0.0047 0.2517 0.3582
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.7027 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7027 1
Mycobacterium ulcerans putative regulatory protein 0.0035 0.1692 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.091 0.1114
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.091 0.091
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.7027 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0075 0.4384 0.6239
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0143 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.091 0.1114
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.091 0.4954
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0191 0.0069
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 0.4384 0.6239
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.087 0.1056
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.7027 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.091 0.0114
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.087 0.1027
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.091 0.1114
Trypanosoma brucei polo-like protein kinase 0.0114 0.7027 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.091 0.0114
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0166 0.0032
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.091 0.1114
Loa Loa (eye worm) hypothetical protein 0.0075 0.4384 0.4384
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0012 0.0166 0.0032
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.087 0.087
Brugia malayi eukaryotic initiation factor 4A 0.0075 0.4384 0.4384
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 0.4384 0.6239
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.091 0.091

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 40.846 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 85.401 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.0014 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2986 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.8336 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 125.8925 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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