Detailed information for compound 1390544

Basic information

Technical information
  • TDR Targets ID: 1390544
  • Name: 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5- methylpyrimidine-2,4-dione
  • MW: 240.256 | Formula: C11H16N2O4
  • H donors: 1 H acceptors: 2 LogP: -0.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1(C)OCC(O1)Cn1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C11H16N2O4/c1-7-4-13(10(15)12-9(7)14)5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,12,14,15)
  • InChiKey: HWIGLXQJOUDXCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-pyrimidine-2,4-quinone
  • 1H-Pyrimidine-2,4-dione, 1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-5-methyl-
  • 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
  • MLS000085952
  • SMR000021281

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
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 GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap 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 infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi polo-like protein kinase, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis serine:threonine protein kinase PLK1 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi serine/threonine-protein kinase plk-2 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Kinase, PLK 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 major apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dUTP pyrophosphatase 0.1632 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0314 0.0314
Wolbachia endosymbiont of Brugia malayi dUTPase 0.1632 1 1
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1632 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0568 0.0568
Entamoeba histolytica hypothetical protein 0.1632 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0004 0.0004
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0004 0.0004
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0567 0.338 0.338
Giardia lamblia DINP protein human, muc B family 0.0023 0.0004 0.0065
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0314 0.554
Loa Loa (eye worm) dUTP diphosphatase 0.1632 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0568 0.0568
Trypanosoma brucei unspecified product 0.0023 0.0004 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Entamoeba histolytica hypothetical protein 0.1066 0.6479 0.6479
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0202 0.0202
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0568 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Schistosoma mansoni DNA polymerase eta 0.0023 0.0004 0.0004
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0568 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0202
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1632 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1632 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1632 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0202
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0004 0.0011
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1632 1 1
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0567 0.338 0.338
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0314 0.0314
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0202 0.0202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0202 0.0202
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1632 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0004 0.0004
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0314 0.0314
Echinococcus granulosus dna polymerase kappa 0.0023 0.0004 0.0004
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0004 0.0011
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0568 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.021 0.021
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0004 0.0011
Entamoeba histolytica hypothetical protein 0.0567 0.338 0.338
Schistosoma mansoni kinase 0.0058 0.0219 0.0219
Giardia lamblia Kinase, PLK 0.0114 0.0568 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0004 0.0065
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1632 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0004 0.0065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0202 0.0202
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0004 0.0004
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0568 0.0568
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0568 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0004 0.0004
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0004 0.0004
Echinococcus granulosus dna polymerase eta 0.0023 0.0004 0.0004
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1632 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0567 0.338 1
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0567 0.338 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0004 0.0065
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0567 0.338 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0004 0.0004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Leishmania major DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Echinococcus multilocularis dna polymerase eta 0.0023 0.0004 0.0004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0314 0.093
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0004 0.0011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0202 0.0202
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1632 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0568 0.0568
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1632 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0314 0.093
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0314 0.093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0202 0.0202
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0004 0.0065
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0568 0.0568
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.1632 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0568 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0568 0.0568
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1632 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0202 0.0202
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0004 0.0004
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0004 0.0065
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0314 0.0314
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1632 1 1
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0567 0.338 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0004 0.0004
Entamoeba histolytica hypothetical protein 0.1066 0.6479 0.6479
Trypanosoma brucei polo-like protein kinase 0.0114 0.0568 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0004 0.0004
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0004 0.0065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0314 0.093
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.021 0.021
Echinococcus multilocularis dUTP pyrophosphatase 0.1632 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0314 0.0314
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0004 0.0065
Entamoeba histolytica hypothetical protein 0.1632 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Loa Loa (eye worm) hypothetical protein 0.0023 0.0004 0.0004
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0567 0.338 0.338
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0004 0.0065
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0004 0.0004

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 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) 1.0418 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) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.9728 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) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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