Detailed information for compound 982669

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.303 | Formula: C19H13FO3
  • H donors: 0 H acceptors: 2 LogP: 3.21 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1CCC2=C(O1)c1ccccc1C(=O)C2=O
  • InChi: 1S/C19H13FO3/c20-12-7-5-11(6-8-12)16-10-9-15-18(22)17(21)13-3-1-2-4-14(13)19(15)23-16/h1-8,16H,9-10H2
  • InChiKey: OKHOJHUBNQQQDF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0376 0.2605 0.2605
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0376 0.2605 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0224 0.0605
Schistosoma mansoni hypothetical protein 0.0044 0.0214 0.0313
Schistosoma mansoni hypothetical protein 0.0528 0.3707 0.5423
Schistosoma mansoni hypothetical protein 0.0155 0.1012 0.148
Brugia malayi Zinc finger, C2H2 type family protein 0.0376 0.2605 0.3812
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0962 0.6835 1
Schistosoma mansoni survival motor neuron protein 0.0044 0.0214 0.0313
Leishmania major dihydroorotate dehydrogenase 0.0962 0.6835 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0133 0.0195
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0962 0.6835 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0224 0.0605
Schistosoma mansoni hypothetical protein 0.0155 0.1012 0.148
Brugia malayi indoleamine 2,3-dioxygenase 0.0528 0.3707 0.5423
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0133 0.0195
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0528 0.3707 0.3707
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0376 0.2605 0.7029
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0962 0.6835 1
Onchocerca volvulus 0.0044 0.0214 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0216 0.1453 0.1453
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0962 0.6835 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0031 0.012 0.0176
Echinococcus multilocularis geminin 0.0155 0.1012 0.1012
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.0176
Schistosoma mansoni dihydroorotate dehydrogenase 0.0962 0.6835 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0376 0.2605 0.7029
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0044 0.0214 0.0313
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0962 0.6835 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0376 0.2605 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0133 0.0359
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0376 0.2605 0.2605
Brugia malayi hypothetical protein 0.0216 0.1453 0.2126
Plasmodium falciparum dihydroorotate dehydrogenase 0.0962 0.6835 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0962 0.6835 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0962 0.6835 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0325
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0962 0.6835 1
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0528 0.3707 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0109 0.0682 0.184
Schistosoma mansoni hypothetical protein 0.0528 0.3707 0.5423
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0528 0.3707 1
Echinococcus granulosus geminin 0.0155 0.1012 0.2729
Loa Loa (eye worm) transcription factor SMAD2 0.0109 0.0682 0.184
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0224 0.0328
Brugia malayi hypothetical protein 0.0033 0.0133 0.0195
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0962 0.6835 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0133 0.0133
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0224 0.0328
Echinococcus granulosus survival motor neuron protein 1 0.0216 0.1453 0.3919
Loa Loa (eye worm) hypothetical protein 0.0216 0.1453 0.3919
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0962 0.6835 1
Brugia malayi MH2 domain containing protein 0.0109 0.0682 0.0998
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0962 0.6835 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0962 0.6835 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0376 0.2605 0.3812

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 97.6 uM Antitrypanosomal activity against bloodstream trypomastigote form of Trypanosoma cruzi Y isolated from albino mouse blood after 24 hrs ChEMBL. 21450374

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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