Detailed information for compound 1352640

Basic information

Technical information
  • TDR Targets ID: 1352640
  • Name: 6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2- pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2- a]pyrimidin-7-one
  • MW: 357.387 | Formula: C16H15N5O3S
  • H donors: 0 H acceptors: 2 LogP: 1.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccco3)/C2=N)s1
  • InChi: 1S/C16H15N5O3S/c17-14-11(8-10-4-3-7-24-10)15(23)18-16-21(14)19-12(25-16)9-13(22)20-5-1-2-6-20/h3-4,7-8,17H,1-2,5-6,9H2/b11-8-,17-14?
  • InChiKey: YODWUKYAZCEQKL-CKIQPETLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • 6-(2-furylmethylene)-5-imino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • (6Z)-6-(2-furylmethylene)-5-imino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • (6Z)-6-(2-furylmethylene)-5-imino-2-(2-oxo-2-1-pyrrolidinylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • 6-(2-furylmethylene)-5-imino-2-(2-oxo-2-1-pyrrolidinylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • 6-(2-furylmethylene)-5-imino-2-(2-keto-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • (6Z)-6-(2-furylmethylene)-5-imino-2-(2-keto-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • 6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • (6Z)-6-(furan-2-ylmethylidene)-5-imino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
  • ZINC05576650

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens APOBEC3A and APOBEC3B deletion hybrid Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.1888 0.4854
Echinococcus granulosus tyrosine protein kinase Blk 0.0072 0.3424 0.8801
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.3865 0.3865
Brugia malayi Sex muscle abnormal protein 5 0.0016 0.005 0.005
Schistosoma mansoni DNA polymerase eta 0.0077 0.3725 0.9575
Echinococcus multilocularis tyrosine protein kinase HCK 0.0064 0.2945 0.7571
Echinococcus granulosus dna polymerase kappa 0.0047 0.1888 0.4854
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1025 0.2651
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.1888 0.4886
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1888 0.5
Schistosoma mansoni adapter molecule crk 0.0016 0.005 0.0129
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.1888 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1888 0.4886
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0018 0.0185 0.0474
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0016 0.005 0.005
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.1888 0.4854
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1888 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.008 0.389 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0018 0.0185 0.0474
Echinococcus granulosus tyrosine protein kinase Fyn 0.008 0.389 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.3865 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0018 0.0185 0.0474
Giardia lamblia DINP protein human, muc B family 0.0047 0.1888 1
Leishmania major DNA polymerase eta, putative 0.0045 0.1806 0.4672
Schistosoma mansoni nck2/grb4 0.0016 0.005 0.0129
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1888 0.4886
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.3725 0.3725
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.186 0.4782
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Loa Loa (eye worm) TK protein kinase 0.0072 0.3424 0.3424
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.008 0.389 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.008 0.389 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.008 0.389 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.3865 1
Echinococcus multilocularis NCK adaptor protein 0.0016 0.005 0.0129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.1888 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.3424 0.8801
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0015 0 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0018 0.0185 0.0185
Brugia malayi Variant SH3 domain containing protein 0.0016 0.005 0.005
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.3725 0.9638
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.1888 0.4854
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.008 0.389 1
Onchocerca volvulus 0.0182 1 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.3865 0.3865
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0018 0.0185 0.0474
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1806 0.4672
Echinococcus granulosus NCK adaptor protein 0.0016 0.005 0.0129
Echinococcus multilocularis c src tyrosine kinase 0.0018 0.0185 0.0474
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis dna polymerase eta 0.0077 0.3725 0.9575
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1888 0.1888
Brugia malayi SRC-1 0.008 0.389 0.389
Echinococcus granulosus growth factor receptor bound protein 2 0.0016 0.005 0.0129
Loa Loa (eye worm) hypothetical protein 0.0077 0.3725 0.3725
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1025 0.2651
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1888 0.4886
Echinococcus granulosus tyrosine protein kinase HCK 0.0064 0.2945 0.7571
Leishmania major DNA polymerase eta, putative 0.0077 0.3725 0.9638
Echinococcus multilocularis tyrosine protein kinase Src42A 0.008 0.389 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0016 0.005 0.0129
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Trypanosoma brucei unspecified product 0.0032 0.1025 0.2651
Entamoeba histolytica protein kinase, putative 0.0064 0.2945 0.7621
Echinococcus multilocularis tyrosine protein kinase Src64B 0.008 0.389 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.1888 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis tyrosine protein kinase Src42A 0.007 0.3289 0.8456
Echinococcus granulosus c src tyrosine kinase 0.0018 0.0185 0.0474
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis dna polymerase kappa 0.0047 0.1888 0.4854
Echinococcus multilocularis tyrosine protein kinase Fyn 0.008 0.389 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.186 0.4782
Echinococcus granulosus tyrosine protein kinase Lyn 0.008 0.389 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus granulosus tyrosine protein kinase Src42A 0.008 0.389 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.3865 0.9935
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis tyrosine protein kinase Blk 0.0072 0.3424 0.8801
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0 0.5
Trypanosoma brucei unspecified product 0.0047 0.1888 0.4886
Loa Loa (eye worm) hypothetical protein 0.0016 0.005 0.005
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.3865 0.9935
Schistosoma mansoni tyrosine kinase 0.008 0.389 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.008 0.389 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.008 0.389 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.008 0.389 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0016 0.005 0.005
Trypanosoma brucei unspecified product 0.0032 0.1025 0.2651
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.005 0.0129
Echinococcus multilocularis growth factor receptor bound protein 2 0.0016 0.005 0.0129
Brugia malayi protein-tyrosine kinase 0.0072 0.3424 0.3424
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.008 0.389 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.007 0.3289 0.8456
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.3725 0.9638
Echinococcus granulosus tyrosine kinase 0.0072 0.3424 0.8801
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.1888 0.4854
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.1806 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.1888 0.1888
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.3865 1
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.005 0.0129
Leishmania major DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Schistosoma mansoni tyrosine kinase 0.0018 0.0185 0.0474
Schistosoma mansoni tyrosine kinase 0.0018 0.0185 0.0474
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.1888 0.4886
Echinococcus multilocularis tyrosine protein kinase Fyn 0.008 0.389 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.3865 1
Loa Loa (eye worm) TK protein kinase 0.0064 0.2945 0.2945
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.1025 0.2651
Loa Loa (eye worm) SRC-1 0.008 0.389 0.389
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0072 0.3424 0.8801
Schistosoma mansoni tyrosine kinase 0.008 0.389 1
Echinococcus granulosus dna polymerase eta 0.0077 0.3725 0.9575
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.1888 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.008 0.389 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.3865 0.9935
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.3865 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0072 0.3424 0.8801
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1888 0.4886
Brugia malayi Variant SH3 domain containing protein 0.0016 0.005 0.005

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.012 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) = 18.5 uM PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
IC50 (functional) = 37.6 uM PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) 23.9341 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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 for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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