Detailed information for compound 893113

Basic information

Technical information
  • TDR Targets ID: 893113
  • Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenza mide
  • MW: 249.198 | Formula: C11H8FN3O3
  • H donors: 3 H acceptors: 5 LogP: 1.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)Nc1cnc(nc1O)O
  • InChi: 1S/C11H8FN3O3/c12-7-3-1-2-6(4-7)9(16)14-8-5-13-11(18)15-10(8)17/h1-5H,(H,14,16)(H2,13,15,17,18)
  • InChiKey: GWXGCKLRQNIFNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoro-benzamide
  • N-(2,4-diketo-1H-pyrimidin-5-yl)-3-fluoro-benzamide
  • ZINC00110480
  • Oprea1_658600
  • ST031403

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0016 0.0955 0.0955
Plasmodium falciparum plasmepsin I 0.0022 0.1652 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0022 0.1652 0.0691
Chlamydia trachomatis glutamine binding protein 0.0016 0.0829 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.1652 1
Echinococcus multilocularis nmda type glutamate receptor 0.0086 1 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0016 0.0829 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0073 0.8382 1
Schistosoma mansoni cathepsin D (A01 family) 0.0064 0.7197 0.8361
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0016 0.0829 0.5
Plasmodium vivax plasmepsin IV, putative 0.0022 0.1652 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0067 0.7592 0.7592
Echinococcus multilocularis glutamate receptor NMDA 0.0064 0.7188 0.7188
Echinococcus multilocularis nmda type glutamate receptor 0.0067 0.7592 0.7592
Schistosoma mansoni cathepsin D (A01 family) 0.0064 0.7197 0.8361
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0022 0.1618 0.1618
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0016 0.0829 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0022 0.1652 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0022 0.1652 0.1652
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0016 0.0955 0.2893
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0022 0.1652 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0022 0.1652 0.5
Plasmodium falciparum plasmepsin VI 0.0022 0.1652 0.5
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0022 0.1652 1
Plasmodium falciparum plasmepsin II 0.0022 0.1652 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0022 0.1652 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0016 0.0955 0.0955
Plasmodium falciparum plasmepsin IV 0.0022 0.1652 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0016 0.0829 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0016 0.0955 0.5
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0022 0.1652 0.1652
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0016 0.0829 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0064 0.7188 0.7188

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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