Detailed information for compound 895468

Basic information

Technical information
  • TDR Targets ID: 895468
  • Name: 1-tert-butyl-5-[(4-fluorophenyl)methyl]pyrazo lo[4,5-e]pyrimidin-4-one
  • MW: 300.331 | Formula: C16H17FN4O
  • H donors: 0 H acceptors: 2 LogP: 2.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cn1cnc2c(c1=O)cnn2C(C)(C)C
  • InChi: 1S/C16H17FN4O/c1-16(2,3)21-14-13(8-19-21)15(22)20(10-18-14)9-11-4-6-12(17)7-5-11/h4-8,10H,9H2,1-3H3
  • InChiKey: MBAPNBNFPQSCPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-tert-butyl-5-[(4-fluorophenyl)methyl]-4-pyrazolo[4,5-e]pyrimidinone
  • 1-tert-butyl-5-(4-fluorobenzyl)pyrazolo[4,5-e]pyrimidin-4-one

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 flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, 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
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum 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
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense apurinic/apyrimidinic 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 ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica exodeoxyribonuclease III, 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
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Cryptosporidium parvum conserved hypothetical protein 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
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.6748 0.6748
Onchocerca volvulus 0.0005 0 0.5
Trichomonas vaginalis exonuclease%2C+putative 0.0006 0.0672 0.0672
Onchocerca volvulus Putative neutral sphingomyelinase 0.0005 0 0.5
Leishmania major hypothetical protein, conserved 0.0006 0.0672 0.0672
Schistosoma mansoni exonuclease 0.0006 0.0672 0.0758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.6748 0.6748
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.6748 0.6748
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.6748 0.6748
Plasmodium falciparum flap endonuclease 1 0.0031 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.6748 0.5
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0672 0.0672
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Echinococcus granulosus exonuclease 1 0.0006 0.0672 0.0672
Schistosoma mansoni flap endonuclease-1 0.0028 0.8875 1
Trypanosoma brucei exonuclease, putative 0.0006 0.0672 0.0672
Giardia lamblia Exonuclease 1 0.0006 0.0672 0.0672
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0672 0.0672
Echinococcus granulosus flap endonuclease GEN 1 0.0006 0.0672 0.0672
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0006 0.0672 0.0672
Loa Loa (eye worm) hypothetical protein 0.0006 0.0672 0.0672
Schistosoma mansoni ap endonuclease 0.0023 0.6748 0.7603
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family member 0.0006 0.0672 0.0758
Echinococcus granulosus flap endonuclease 1 0.0031 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0006 0.0672 0.0672
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.6748 0.6748
Echinococcus multilocularis flap endonuclease 1 0.0031 1 1
Echinococcus multilocularis exonuclease 1 0.0006 0.0672 0.0672
Trypanosoma brucei DNA repair protein RAD2, putative 0.0006 0.0672 0.0672
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.6748 1
Echinococcus multilocularis flap endonuclease GEN 1 0.0006 0.0672 0.0672
Schistosoma mansoni ap endonuclease 0.0023 0.6748 0.7603
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.6748 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0006 0.0672 0.0672
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0672 0.0672
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0672 0.0672
Giardia lamblia hypothetical protein 0.0006 0.0672 0.0672
Onchocerca volvulus 0.0005 0 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.6748 0.6748
Entamoeba histolytica exonuclease, putative 0.0006 0.0672 0.0672
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.6748 0.6748
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.6748 0.6748
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.6748 0.6748
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 1 1
Plasmodium falciparum exonuclease I, putative 0.0006 0.0672 0.0672
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.6748 0.6748
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0006 0.0672 0.0672
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.6748 0.6748
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.0672 0.0672
Plasmodium vivax DNA repair protein RAD2, putative 0.0006 0.0672 0.0672
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0006 0.0672 0.0672
Loa Loa (eye worm) flap endonuclease-1 0.0031 1 1
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0006 0.0672 0.0672
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0006 0.0672 0.0672
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 1 1
Plasmodium vivax exonuclease I, putative 0.0006 0.0672 0.0672
Brugia malayi XPG I-region family protein 0.0006 0.0672 0.0672
Giardia lamblia Flap structure-specific endonuclease 0.0031 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.6748 0.6748
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.6748 0.6748
Toxoplasma gondii exonuclease III APE 0.0023 0.6748 0.6748
Trichomonas vaginalis flap endonuclease-1, putative 0.0006 0.0672 0.0672
Entamoeba histolytica exonuclease, putative 0.0006 0.0672 0.0672
Entamoeba histolytica Flap nuclease, putative 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0672 0.0672
Entamoeba histolytica DNA-repair protein, putative 0.0006 0.0672 0.0672
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.6748 0.5
Plasmodium falciparum DNA repair protein RAD2, putative 0.0006 0.0672 0.0672
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0006 0.0672 0.0758
Loa Loa (eye worm) XPG I-region family protein 0.0006 0.0672 0.0672
Plasmodium vivax flap endonuclease 1, putative 0.0031 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0006 0.0672 0.0672
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.6748 0.6748

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0032 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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

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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