Detailed information for compound 1071658

Basic information

Technical information
  • TDR Targets ID: 1071658
  • Name: IVK/9684393
  • MW: 261.248 | Formula: C14H12FNO3
  • H donors: 0 H acceptors: 2 LogP: 1.12 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)N1C(=O)C2C(C1=O)C1OC2CC1
  • InChi: 1S/C14H12FNO3/c15-7-2-1-3-8(6-7)16-13(17)11-9-4-5-10(19-9)12(11)14(16)18/h1-3,6,9-12H,4-5H2
  • InChiKey: NPACSOMNMYSVDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SDCCGMLS-0065022.P001
  • 4-(3-fluorophenyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
  • MLS001179249
  • SMR000476904

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.2852 0.2852
Echinococcus multilocularis GPCR, family 2 0.0033 0.076 0.076
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.1106 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.1106 0.1298
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0478 0.4322
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.076 0.076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.4578 0.5375
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.2852 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.1106 0.1298
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1106 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.076 0.076
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0478 0.1676
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.8518 0.8518
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.8518 0.8518
Schistosoma mansoni alpha-glucosidase 0.0152 0.7191 0.7191
Echinococcus multilocularis musashi 0.0029 0.0569 0.0569
Echinococcus granulosus transcription factor Dp 1 0.0042 0.1226 0.1226
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.2852 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1106 0.3878
Schistosoma mansoni alpha-glucosidase 0.0152 0.7191 0.7191
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.2852 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.076 0.0892
Loa Loa (eye worm) hypothetical protein 0.0028 0.0478 0.0561
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.1106 1
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.1226 0.1226
Schistosoma mansoni lamin 0.0029 0.0569 0.0569
Schistosoma mansoni hypothetical protein 0.0033 0.076 0.076
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.8518 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.2852 0.2852
Loa Loa (eye worm) hypothetical protein 0.0071 0.2811 0.33
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.1106 0.3878
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1106 1
Onchocerca volvulus 0.0102 0.4501 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.1106 0.1106
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0478 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0478 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.076 0.076
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.2852 0.3348
Schistosoma mansoni hypothetical protein 0.0033 0.076 0.076
Schistosoma mansoni intermediate filament proteins 0.0029 0.0569 0.0569
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0569 0.0668
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.2852 0.3348
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1106 0.3878
Loa Loa (eye worm) hypothetical protein 0.0104 0.4578 0.5375
Echinococcus granulosus GPCR family 2 0.0033 0.076 0.076
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.1106 0.3878
Loa Loa (eye worm) hypothetical protein 0.0029 0.0569 0.0668
Echinococcus multilocularis lamin dm0 0.0029 0.0569 0.0569
Schistosoma mansoni hypothetical protein 0.0033 0.076 0.076
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1106 1
Schistosoma mansoni lamin 0.0029 0.0569 0.0569
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.4578 0.5375
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.1106 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.1106 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.054 0.0634
Schistosoma mansoni hypothetical protein 0.0071 0.2811 0.2811
Leishmania major hypothetical protein, conserved 0.0028 0.0478 0.1676
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1106 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0569 0.0668
Brugia malayi intermediate filament protein 0.0029 0.0569 0.0668
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.4578 0.5375
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.2852 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.8518 1
Echinococcus granulosus lamin 0.0029 0.0569 0.0569
Schistosoma mansoni hypothetical protein 0.0033 0.076 0.076
Echinococcus granulosus lamin dm0 0.0029 0.0569 0.0569
Echinococcus granulosus intermediate filament protein 0.0029 0.0569 0.0569
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.2852 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.1106 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.076 0.0892
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.1106 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0478 0.1676
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.076 0.0892
Schistosoma mansoni alpha glucosidase 0.0039 0.1106 0.1106
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.076 0.076
Echinococcus multilocularis lamin 0.0029 0.0569 0.0569
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0478 0.1676
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.076 0.0892
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.2811 0.33
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.2852 0.2852
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0569 0.0668
Brugia malayi hypothetical protein 0.0028 0.0478 0.0561
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.1106 0.3878
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.1106 0.1106
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0478 1
Trypanosoma brucei glucosidase, putative 0.0039 0.1106 0.3878
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.8518 0.8518

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0323 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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