Detailed information for compound 1265794

Basic information

Technical information
  • TDR Targets ID: 1265794
  • Name: 2-methylpropyl 3-(2-amino-4-methyl-6-oxo-3H-p yrimidin-5-yl)propanoate
  • MW: 253.298 | Formula: C12H19N3O3
  • H donors: 2 H acceptors: 4 LogP: 1.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COC(=O)CCc1c(C)nc(nc1O)N)C
  • InChi: 1S/C12H19N3O3/c1-7(2)6-18-10(16)5-4-9-8(3)14-12(13)15-11(9)17/h7H,4-6H2,1-3H3,(H3,13,14,15,17)
  • InChiKey: WPQFKPIJSYXSPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • isobutyl 3-(2-amino-4-methyl-6-oxo-3H-pyrimidin-5-yl)propanoate
  • 3-(2-amino-4-methyl-6-oxo-3H-pyrimidin-5-yl)propanoic acid isobutyl ester
  • 3-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)propionic acid isobutyl ester
  • isobutyl 3-(2-amino-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoate
  • ChemDiv2_001307
  • EU-0048060
  • MLS000085216
  • SMR000019756

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 TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, 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 TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
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 RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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 brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica exodeoxyribonuclease III, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Toxoplasma gondii exonuclease III APE 0.0023 0.2055 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.2055 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.1239 0.1239
Onchocerca volvulus 0.0009 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.1239 0.1239
Onchocerca volvulus 0.0009 0 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.2055 0.2055
Loa Loa (eye worm) hypothetical protein 0.0054 0.6725 0.6725
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.6725 0.6725
Schistosoma mansoni hypothetical protein 0.0017 0.1239 0.1239
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2055 0.5
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 4.1 G protein, putative homolog 0.0009 0 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.2055 0.2055
Onchocerca volvulus 0.0009 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.1239 0.1239
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus 0.0009 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.6725 0.6725
Onchocerca volvulus 0.0009 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2055 1
Onchocerca volvulus 0.0009 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2055 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2055 0.2055
Onchocerca volvulus 0.0009 0 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2055 0.2055
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2055 1
Onchocerca volvulus 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.1239 0.1239
Onchocerca volvulus 0.0009 0 0.5
Echinococcus granulosus GPCR family 2 0.0017 0.1239 0.1239
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.1239 0.1239
Schistosoma mansoni hypothetical protein 0.0017 0.1239 0.1239
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.6725 0.6725
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.1239 0.1239
Onchocerca volvulus 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.4186 0.4186
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.2055 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2055 1
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2055 0.2055
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.1239 0.1239
Onchocerca volvulus 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2055 1
Onchocerca volvulus 0.0009 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.4186 0.4186
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2055 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2055 0.5
Onchocerca volvulus 0.0009 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2055 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.1239 0.1239
Schistosoma mansoni hypothetical protein 0.0017 0.1239 0.1239
Echinococcus multilocularis GPCR, family 2 0.0017 0.1239 0.1239
Loa Loa (eye worm) hypothetical protein 0.0037 0.4186 0.4186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.1239 0.1239
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2055 0.2055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2055 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2055 1
Onchocerca volvulus 0.0009 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus 0.0009 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.2055 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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