Detailed information for compound 1680773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.561 | Formula: C25H33N5O4
  • H donors: 2 H acceptors: 5 LogP: 2.29 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@](c1cccc(c1)OCC1(C)CC1)(Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)O
  • InChi: 1S/C25H33N5O4/c1-3-25(33,19-7-6-9-21(15-19)34-18-24(2)11-12-24)17-30-20(16-26-28-30)8-4-5-13-29-14-10-22(31)27-23(29)32/h6-7,9-10,14-16,33H,3-5,8,11-13,17-18H2,1-2H3,(H,27,31,32)/t25-/m1/s1
  • InChiKey: QETQTFCQFSBKNN-RUZDIDTESA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens deoxyuridine triphosphatase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase Get druggable targets OG5_126992 All targets in OG5_126992
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Neospora caninum deoxyuridine 5-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Cryptosporidium parvum deoxyuridinetriphosphatase, possible bacterial origin Get druggable targets OG5_126992 All targets in OG5_126992
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein Get druggable targets OG5_126992 All targets in OG5_126992
Schistosoma japonicum ko:K01520 dUTP pyrophosphatase [EC3.6.1.23], putative Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126992 All targets in OG5_126992
Brugia malayi dUTP diphosphatase Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126992 All targets in OG5_126992
Cryptosporidium hominis deoxyuridine 5-triphosphate nucleotidohydrolase Get druggable targets OG5_126992 All targets in OG5_126992
Candida albicans dUTP pyrophosphatase gene isolated by genetic complementation in S. cerevisiae. Get druggable targets OG5_126992 All targets in OG5_126992
Echinococcus granulosus dUTP pyrophosphatase Get druggable targets OG5_126992 All targets in OG5_126992
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126992 All targets in OG5_126992
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative Get druggable targets OG5_126992 All targets in OG5_126992
Wolbachia endosymbiont of Brugia malayi dUTPase Get druggable targets OG5_126992 All targets in OG5_126992
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) Get druggable targets OG5_126992 All targets in OG5_126992
Plasmodium yoelii putative deoxyuridine 5'-triphosphate nucleotidohydrolase Get druggable targets OG5_126992 All targets in OG5_126992
Plasmodium knowlesi deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Loa Loa (eye worm) dUTP diphosphatase Get druggable targets OG5_126992 All targets in OG5_126992
Theileria parva deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Plasmodium berghei deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein Get druggable targets OG5_126992 All targets in OG5_126992
Babesia bovis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative Get druggable targets OG5_126992 All targets in OG5_126992
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein Get druggable targets OG5_126992 All targets in OG5_126992
Echinococcus multilocularis dUTP pyrophosphatase Get druggable targets OG5_126992 All targets in OG5_126992
Candida albicans dUTP pyrophosphatase gene isolated by genetic complementation in S. cerevisiae. Get druggable targets OG5_126992 All targets in OG5_126992

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax VIR protein deoxyuridine triphosphatase 252 aa 229 aa 18.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0091 1 1
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 1 0.5
Echinococcus granulosus dUTP pyrophosphatase 0.0091 1 0.5
Loa Loa (eye worm) dUTP diphosphatase 0.0091 1 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0091 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 1 1
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0091 1 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 1 1
Echinococcus multilocularis dUTP pyrophosphatase 0.0091 1 0.5
Entamoeba histolytica hypothetical protein 0.0091 1 1
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0091 1 0.5
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0091 1 0.5
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 1 0.5
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0091 1 0.5
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0091 1 0.5
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 1 0.5
Entamoeba histolytica hypothetical protein 0.0091 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.63 uM Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC ChEMBL. 22715973

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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