Detailed information for compound 203808

Basic information

Technical information
  • TDR Targets ID: 203808
  • Name: 9-(4,5-diphenylpyrimidin-2-yl)oxynonanoic aci d
  • MW: 404.501 | Formula: C25H28N2O3
  • H donors: 1 H acceptors: 4 LogP: 5.99 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCCCCOc1ncc(c(n1)c1ccccc1)c1ccccc1
  • InChi: 1S/C25H28N2O3/c28-23(29)17-11-3-1-2-4-12-18-30-25-26-19-22(20-13-7-5-8-14-20)24(27-25)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,28,29)
  • InChiKey: NZFGYBHULCRIHN-UHFFFAOYSA-N  

Network

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Synonyms

  • 9-[(4,5-diphenyl-2-pyrimidinyl)oxy]nonanoic acid
  • 9-(4,5-diphenylpyrimidin-2-yl)oxypelargonic acid
  • 9-[4,5-di(phenyl)pyrimidin-2-yl]oxynonanoic acid
  • 9-[[4,5-di(phenyl)-2-pyrimidinyl]oxy]nonanoic acid
  • 9-[4,5-di(phenyl)pyrimidin-2-yl]oxypelargonic acid

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
Brugia malayi FAD binding domain containing protein 0.0097 0.3797 0.6584
Onchocerca volvulus Matrix metalloproteinase homolog 0.0107 0.4597 1
Brugia malayi FAD binding domain containing protein 0.006 0.087 0.0183
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0097 0.3797 0.5
Trichomonas vaginalis sulfite reductase, putative 0.0097 0.3797 1
Brugia malayi Hemopexin family protein 0.0068 0.1548 0.1666
Giardia lamblia Hypothetical protein 0.0086 0.2927 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.0059 0.0786 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0097 0.3797 0.5
Trypanosoma cruzi p450 reductase, putative 0.0097 0.3797 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0097 0.3797 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0059 0.0786 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0176 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0097 0.3797 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.006 0.087 0.2291
Schistosoma mansoni cytochrome P450 reductase 0.0097 0.3797 1
Brugia malayi Matrixin family protein 0.0117 0.5359 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0097 0.3797 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0097 0.3797 0.3206
Chlamydia trachomatis sulfite reductase 0.006 0.087 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.3797 0.6584
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0097 0.3797 0.3206
Loa Loa (eye worm) matrixin family protein 0.0117 0.5359 1
Onchocerca volvulus Matrilysin homolog 0.0107 0.4597 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0097 0.3797 0.3206
Loa Loa (eye worm) matrixin family protein 0.0107 0.4597 0.8334
Loa Loa (eye worm) FAD binding domain-containing protein 0.006 0.087 0.0183
Leishmania major p450 reductase, putative 0.0097 0.3797 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0097 0.3797 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0097 0.3797 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0097 0.3797 1
Brugia malayi flavodoxin family protein 0.0097 0.3797 0.6584
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0097 0.3797 0.3206
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0097 0.3797 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0097 0.3797 1
Schistosoma mansoni hypothetical protein 0.0068 0.1548 0.4077
Plasmodium falciparum nitric oxide synthase, putative 0.0097 0.3797 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0086 0.2927 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0097 0.3797 0.6584

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 79 uM Inhibition of ADP-induced aggregation of human blood platelets in plasma ChEMBL. 1404231

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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