Detailed information for compound 514076

Basic information

Technical information
  • TDR Targets ID: 514076
  • Name: 4,6-dimethyl-2-(5-nitrofuran-2-yl)pyrimidine
  • MW: 219.197 | Formula: C10H9N3O3
  • H donors: 0 H acceptors: 4 LogP: 1.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(nc(c1)C)c1ccc(o1)[N+](=O)[O-]
  • InChi: 1S/C10H9N3O3/c1-6-5-7(2)12-10(11-6)8-3-4-9(16-8)13(14)15/h3-5H,1-2H3
  • InChiKey: RYBISXUKVTYYNN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4,6-dimethyl-2-(5-nitro-2-furyl)pyrimidine
  • 59-35-8
  • 4,6-Dimethyl-2-(5-nitro-2-furyl) pyrimidine
  • 4,6-Dimethyl-2-(5-nitro-2-furyl)-pyrimidine
  • BRN 1077992
  • Pyrimidine, 4,6-dimethyl-2-(5-nitro-2-furyl)-
  • Oprea1_115814

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
Trichomonas vaginalis sucrase-isomaltase, putative 0.0106 0.1308 0.3839
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0106 0.1308 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Mycobacterium ulcerans chitinase/cellulase 0.0102 0.118 0.1241
Schistosoma mansoni alpha glucosidase 0.0106 0.1308 0.1149
Giardia lamblia Nitric oxide synthase, inducible 0.0068 0.0178 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Echinococcus multilocularis lysosomal alpha glucosidase 0.0401 1 1
Mycobacterium ulcerans alpha-L-fucosidase 0.028 0.6443 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0106 0.1308 0.3839
Loa Loa (eye worm) hypothetical protein 0.0076 0.0434 0.0434
Brugia malayi flavodoxin family protein 0.0076 0.0434 0.0434
Leishmania major alpha glucosidase II subunit, putative 0.0106 0.1308 0.7018
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1308 0.3839
Loa Loa (eye worm) cuticular endochitinase 0.0122 0.1788 0.1788
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0074 0.0374 0.1098
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1308 0.3839
Brugia malayi Alpha-L-fucosidase family protein 0.0169 0.3177 0.3177
Onchocerca volvulus Putative endochitinase 0.0122 0.1788 0.2825
Mycobacterium tuberculosis Possible chitinase 0.0102 0.118 0.5
Echinococcus granulosus fucosidase alpha L 1 tissue 0.028 0.6443 0.6281
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0068 0.0178 0.0524
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0106 0.1308 0.3839
Onchocerca volvulus Putative endochitinase 0.0134 0.2138 0.3378
Echinococcus granulosus neutral alpha glucosidase AB 0.0106 0.1308 0.0913
Loa Loa (eye worm) FAD binding domain-containing protein 0.0076 0.0434 0.0434
Trypanosoma brucei glucosidase, putative 0.0106 0.1308 1
Brugia malayi Endochitinase 0.0134 0.2138 0.2138
Loa Loa (eye worm) hypothetical protein 0.0102 0.118 0.118
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0076 0.0434 0.159
Plasmodium falciparum nitric oxide synthase, putative 0.0076 0.0434 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1308 0.3839
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.028 0.6443 0.6281
Schistosoma mansoni alpha-glucosidase 0.0334 0.8039 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1308 0.3839
Loa Loa (eye worm) alpha-L-fucosidase 0.0169 0.3177 0.3177
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Mycobacterium ulcerans chitinase/cellulase 0.0102 0.118 0.1241
Onchocerca volvulus Glucosylceramidase homolog 0.0116 0.161 0.2545
Trichomonas vaginalis sulfite reductase, putative 0.0076 0.0434 0.1275
Onchocerca volvulus Putative endochitinase 0.0134 0.2138 0.3378
Trypanosoma cruzi hypothetical protein, conserved 0.0106 0.1308 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Onchocerca volvulus Putative endochitinase 0.0134 0.2138 0.3378
Trypanosoma cruzi hypothetical protein, conserved 0.0106 0.1308 1
Leishmania major p450 reductase, putative 0.0076 0.0434 0.159
Schistosoma mansoni alpha-glucosidase 0.0334 0.8039 1
Onchocerca volvulus 0.0276 0.6327 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0076 0.0434 1
Brugia malayi FAD binding domain containing protein 0.0076 0.0434 0.0434
Echinococcus multilocularis neutral alpha glucosidase AB 0.0106 0.1308 0.0913
Onchocerca volvulus Putative endochitinase 0.0122 0.1788 0.2825
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Brugia malayi endochitinase 0.0134 0.2138 0.2138
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0177 0.3406 0.3406
Entamoeba histolytica chitinase, putative 0.0122 0.1788 1
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Trichomonas vaginalis glucosylceramidase, putative 0.0123 0.1795 0.5269
Trichomonas vaginalis alpha-glucosidase, putative 0.0106 0.1308 0.3839
Schistosoma mansoni alpha-l-fucosidase 0.0169 0.3177 0.3607
Echinococcus multilocularis lysosomal alpha glucosidase 0.0401 1 1
Leishmania major chitinase 0.0122 0.1788 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0106 0.1308 0.1308
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0401 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0106 0.1308 0.1308
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0074 0.0374 0.1098
Brugia malayi endochitinase 0.0122 0.1788 0.1788
Loa Loa (eye worm) chitinase I 0.0122 0.1788 0.1788
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.3406 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0401 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0123 0.1795 0.5269
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0177 0.3406 0.3406
Giardia lamblia Hypothetical protein 0.0068 0.0178 0.5
Loa Loa (eye worm) microfilarial chitinase 0.0114 0.153 0.153
Trichomonas vaginalis glucosylceramidase, putative 0.0116 0.161 0.4727
Trichomonas vaginalis maltase-glucoamylase, putative 0.0106 0.1308 0.3839

Activities

Activity type Activity value Assay description Source Reference
pTD50 (functional) = 1.076 Anticarcinogenic activity in rat assessed as induction of tumors per day ChEMBL. 18295489
TD50 (functional) = 11.907 umol/Kg Anticarcinogenic activity in rat assessed as induction of tumors per day ChEMBL. 18295489

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.