Detailed information for compound 1558181

Basic information

Technical information
  • TDR Targets ID: 1558181
  • Name: 6-hydroxy-1-phenyl-4H-pyrazolo[5,4-e]pyrimidi ne-5,7-dione
  • MW: 244.206 | Formula: C11H8N4O3
  • H donors: 2 H acceptors: 4 LogP: 0.44 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: On1c(=O)[nH]c2c(c1=O)n(nc2)c1ccccc1
  • InChi: 1S/C11H8N4O3/c16-10-9-8(13-11(17)15(10)18)6-12-14(9)7-4-2-1-3-5-7/h1-6,18H,(H,13,17)
  • InChiKey: KWVZYRSPZIGJDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-hydroxy-1-phenyl-4H-pyrazolo[5,4-e]pyrimidine-5,7-quinone
  • 16078-72-1
  • 6-Hydroxy-1-phenyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
  • AIDS-126296
  • AIDS126296
  • NSC104148
  • NCIOpen2_007176
  • 6-Hydroxy-1-phenyl-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
  • NSC 104148

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
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 cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
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 DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
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
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica Flap nuclease, 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
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta 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
Echinococcus multilocularis 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
Plasmodium yoelii flap endonuclease-1-related 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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis 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
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
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 donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
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
Trypanosoma brucei unspecified product 0.0016 0.1887 0.1887
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.6568 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.3432 0.3432
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.517 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.3432 0.5
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.517 0.7872
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.6568 1
Echinococcus granulosus flap endonuclease 1 0.0031 0.517 0.2647
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.3432 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Echinococcus multilocularis flap endonuclease 1 0.0031 0.517 0.2647
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei unspecified product 0.0016 0.1887 0.1887
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.517 0.517
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1887 0.1887
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.517 1
Leishmania major DNA polymerase eta, putative 0.0054 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Leishmania major DNA polymerase eta, putative 0.0038 0.6568 0.6568
Schistosoma mansoni DNA polymerase eta 0.0054 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3432 0.3432
Entamoeba histolytica Flap nuclease, putative 0.0031 0.517 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.3432 0.3432
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.517 0.517
Trypanosoma brucei unspecified product 0.0023 0.3432 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Echinococcus granulosus dna polymerase eta 0.0054 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3432 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.3432 0.3432
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.3432 0.3432
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.517 0.517
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Echinococcus multilocularis dna polymerase eta 0.0054 1 1
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.517 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.517 0.517
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.3432 0.3432
Schistosoma mansoni flap endonuclease-1 0.0028 0.4525 0.4525
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Brugia malayi Flap endonuclease-1 0.0031 0.517 0.517
Leishmania major DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.3432 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.3432 0.6637
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Plasmodium falciparum flap endonuclease 1 0.0031 0.517 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.3432 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1887 0.1887
Trypanosoma brucei DNA polymerase eta, putative 0.0054 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1887 0.1887
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.3432 0.3432

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 38.6 uM Inhibition of human poly(A)-selective ribonuclease Caf1 by fluorescence-based assay ChEMBL. 26299350
Potency (functional) 0.5012 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) 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) 21.3313 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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

1 literature reference was collected for this gene.

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