Detailed information for compound 1300625

Basic information

Technical information
  • TDR Targets ID: 1300625
  • Name: 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1- benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl -4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
  • MW: 494.586 | Formula: C24H22N4O4S2
  • H donors: 2 H acceptors: 5 LogP: 4.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC(C3)C)nc2c(c1=O)ccc(c2)C(=O)O
  • InChi: 1S/C24H22N4O4S2/c1-3-8-28-22(30)16-7-5-14(23(31)32)10-18(16)26-24(28)33-12-20(29)27-21-17(11-25)15-6-4-13(2)9-19(15)34-21/h3,5,7,10,13H,1,4,6,8-9,12H2,2H3,(H,27,29)(H,31,32)
  • InChiKey: MIAMJTZLMGRBPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-allyl-2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid
  • 3-allyl-2-[[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid
  • 3-allyl-2-[[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid
  • 2-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-prop-2-enyl-quinazoline-7-carboxylic acid
  • T5396022

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Trypanosoma brucei gambiense phosphoglycerate kinase, putative No references
Trypanosoma brucei phosphoglycerate kinase Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Treponema pallidum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
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
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
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 DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis 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
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related Get druggable targets OG5_126776 All targets in OG5_126776
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni ap 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
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni DNA polymerase eta 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense 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
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphoglycerate kinase, putative 0.0206 0.9387 1
Chlamydia trachomatis phosphoglycerate kinase 0.0206 0.9387 0.5
Treponema pallidum phosphoglycerate kinase 0.0206 0.9387 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.1579 0.1682
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0405 0.0405
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.9387 1
Echinococcus multilocularis dna polymerase kappa 0.0047 0.1579 0.1307
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.9387 1
Schistosoma mansoni phosphoglycerate kinase 0.0206 0.9387 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.1579 0.1307
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.1579 0.1307
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.1511 0.161
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.0925
Leishmania major phosphoglycerate kinase C, glycosomal 0.0206 0.9387 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Trypanosoma brucei unspecified product 0.0047 0.1579 0.1682
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 0.5
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0206 0.9387 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.9387 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0405 0.0432
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma brucei unspecified product 0.0032 0.0869 0.0925
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0405 0.0405
Schistosoma mansoni hypothetical protein 0.0205 0.9343 0.9953
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.1682
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.0925
Plasmodium vivax phosphoglycerate kinase, putative 0.0206 0.9387 1
Trypanosoma brucei phosphoglycerate kinase 0.0206 0.9387 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Echinococcus granulosus phosphoglycerate kinase 1 0.0206 0.9387 1
Giardia lamblia Phosphoglycerate kinase 0.0206 0.9387 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Echinococcus multilocularis dna polymerase eta 0.0077 0.3091 0.299
Loa Loa (eye worm) hypothetical protein 0.0206 0.9387 0.9387
Echinococcus granulosus dna polymerase eta 0.0077 0.3091 0.299
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0206 0.9387 0.5
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Schistosoma mansoni hypothetical protein 0.0205 0.9343 0.9953
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.1579 0.1307
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.1579 0.1682
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1579 0.1682
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.1682
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0206 0.9387 1
Brugia malayi Phosphoglycerate kinase 0.0206 0.9387 0.9387
Toxoplasma gondii exonuclease III APE 0.0023 0.0405 0.0432
Brugia malayi Phosphoglycerate kinase 0.0075 0.2996 0.2996
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0206 0.9387 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.9387 1
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0206 0.9387 1
Leishmania major DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.1579 0.1682
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0405 0.0432
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0405 0.0432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.1579 0.1307
Schistosoma mansoni DNA polymerase eta 0.0077 0.3091 0.3292
Plasmodium falciparum phosphoglycerate kinase 0.0206 0.9387 1
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.1579 0.1579
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.2996 0.3192
Schistosoma mansoni ap endonuclease 0.0023 0.0405 0.0432
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0405 0.0432
Leishmania major DNA polymerase eta, putative 0.0045 0.1511 0.161
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.1579 0.1307
Schistosoma mansoni ap endonuclease 0.0023 0.0405 0.0432
Trypanosoma brucei unspecified product 0.0032 0.0869 0.0925
Loa Loa (eye worm) hypothetical protein 0.0077 0.3091 0.3091
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.2996 0.3192
Mycobacterium ulcerans phosphoglycerate kinase 0.0206 0.9387 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0206 0.9387 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.1579 0.1307
Echinococcus multilocularis geminin 0.0205 0.9343 0.9951
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0206 0.9387 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0869 0.0925
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.1579 0.1307
Echinococcus multilocularis phosphoglycerate kinase 1 0.0206 0.9387 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0405 0.0432
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.1579 0.1682
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.3091 0.3091
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0405 0.0432
Echinococcus granulosus geminin 0.0205 0.9343 0.9951
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.1511 0.161
Giardia lamblia DINP protein human, muc B family 0.0047 0.1579 0.1682
Leishmania major DNA polymerase eta, putative 0.0077 0.3091 0.3292
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0405 0.0432
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1579 0.1682
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.2996 0.3192
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.3091 0.3292
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.3091 0.3292
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.1579 0.1579
Echinococcus granulosus dna polymerase kappa 0.0047 0.1579 0.1307
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0206 0.9387 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.1579 0.1682
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0405 0.0432
Loa Loa (eye worm) hypothetical protein 0.0218 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 5.1682 uM PubChem BioAssay. qHTS for inhibitors of Phosphogylcerate Kinase: Hit Validation Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.7016 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 31.6228 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) 37.6858 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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.
 
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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