Detailed information for compound 1866387

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.344 | Formula: C20H14F4N4O2
  • H donors: 0 H acceptors: 3 LogP: 4.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Oc1ccc(cc1)c1nnc2n1nc(OCCc1ccc(c(c1)F)F)cc2)F
  • InChi: 1S/C20H14F4N4O2/c21-15-6-1-12(11-16(15)22)9-10-29-18-8-7-17-25-26-19(28(17)27-18)13-2-4-14(5-3-13)30-20(23)24/h1-8,11,20H,9-10H2
  • InChiKey: POGWIRSWBGSGTG-UHFFFAOYSA-N  


Substructure search Similarity search

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 ATP binding cassette sub family G 0.002 0.0542 0.3839
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0092 0.0651
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0092 1
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0092 0.2189
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0092 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0092 0.0651
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0092 0.0651
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0092 1
Echinococcus granulosus Tolloid protein 1 0.0007 0.0023 0.016
Schistosoma mansoni hypothetical protein 0.0041 0.1413 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0007 0.0023 0.016
Brugia malayi Calcium binding EGF domain containing protein 0.0007 0.0023 0.016
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.002 0.0542 1
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0539
Onchocerca volvulus 0.0009 0.0092 1
Brugia malayi ecdysteroid receptor 0.0009 0.0092 0.0651
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0092 0.0651
Echinococcus multilocularis ATP binding cassette sub family G 0.002 0.0542 0.3839
Brugia malayi hypothetical protein 0.0041 0.1413 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0092 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0092 0.2189
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0539
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.002 0.0542 0.3839
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0092 0.0651
Schistosoma mansoni egf-like domain protein 0.0007 0.0023 0.016
Trypanosoma brucei ATP-binding cassette protein, putative 0.002 0.0542 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1413 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0007 0.0023 0.0539
Brugia malayi nuclear hormone receptor 0.0009 0.0092 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0092 0.2189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0092 0.2189
Echinococcus multilocularis fibrillin 1 0.0007 0.0023 0.016
Echinococcus granulosus laminin 0.0007 0.0023 0.016
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0539
Brugia malayi ABC transporter family protein 0.0017 0.042 0.2975
Trypanosoma cruzi ATP-binding cassette protein, putative 0.002 0.0542 0.5
Mycobacterium leprae POSSIBLE 3-METHYLADENINE DNA GLYCOSYLASE MPG 0.0128 0.4949 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0092 0.0651
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0092 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0092 0.0651
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0092 0.0651
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0092 0.0651
Plasmodium vivax DNA-3-methyladenine glycosylase, putative 0.0251 1 1
Wolbachia endosymbiont of Brugia malayi 3-methyladenine DNA glycosylase 0.0251 1 0.5
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0542 0.3839
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0092 0.0651
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0092 0.2189
Brugia malayi Fibulin-1 precursor 0.0007 0.0023 0.016
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0251 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0092 0.0651
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0092 0.0651
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0092 0.0651
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0092 0.0651
Plasmodium falciparum DNA-3-methyladenine glycosylase, putative 0.0251 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0092 0.0651
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0092 0.0651
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Entamoeba histolytica hypothetical protein 0.0041 0.1413 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1413 1
Echinococcus multilocularis laminin 0.0007 0.0023 0.016
Schistosoma mansoni hypothetical protein 0.0016 0.0411 0.2909
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0007 0.0023 0.0539
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0092 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0092 0.0651
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0007 0.0023 0.0539
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0092 0.0651
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.002 0.0542 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0092 0.2189
Echinococcus multilocularis ATP binding cassette sub family G 0.002 0.0542 0.3839
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0092 0.0651
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0092 0.0651
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0092 0.0651
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0092 0.0651
Schistosoma mansoni ABC transporter 0.0017 0.042 0.2975
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0092 0.0651
Entamoeba histolytica hypothetical protein 0.0041 0.1413 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0092 0.0651
Echinococcus multilocularis Tolloid protein 1 0.0007 0.0023 0.016
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0542 0.3839
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0092 0.0651
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0092 0.0651
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1413 1
Onchocerca volvulus Arrow homolog 0.0007 0.0023 0.2463
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0092 0.0651
Trypanosoma brucei ABC transporter, putative 0.002 0.0542 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0092 0.2189
Brugia malayi nuclear receptor NHR-88 0.0009 0.0092 0.0651
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0092 0.0651
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0092 0.0651
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0092 0.0651
Schistosoma mansoni coup transcription factor 0.0009 0.0092 0.0651
Entamoeba histolytica hypothetical protein 0.0041 0.1413 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0092 0.2189
Loa Loa (eye worm) ABC transporter 0.0017 0.042 1
Trichomonas vaginalis conserved hypothetical protein 0.0251 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.002 0.0542 0.5
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0542 0.3839
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0092 0.0651
Brugia malayi steroid hormone receptor 0.0009 0.0092 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0092 0.0651
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0092 1
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0092 0.0651
Loa Loa (eye worm) hypothetical protein 0.0009 0.0092 0.2189
Trypanosoma cruzi ABC transporter, putative 0.002 0.0542 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0092 0.0651
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0007 0.0023 0.016
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0092 0.0651
Entamoeba histolytica hypothetical protein 0.0041 0.1413 1
Mycobacterium ulcerans 3-methyladenine DNA glycosylase 0.0251 1 1
Giardia lamblia ABC transporter 0.0019 0.0533 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0092 0.0651
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0092 0.0651

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.779 uM OSM: Erythrocyte assay. NF54 with 3H-Hypoxanthine at 72hr time point. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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