Detailed information for compound 1955468

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 505.534 | Formula: C24H25F2N3O5S
  • H donors: 2 H acceptors: 5 LogP: 1.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cccc(c1)C(C1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(c1)F)O
  • InChi: 1S/C24H25F2N3O5S/c25-19-7-1-5-17(15-19)24(32,18-6-2-8-20(26)16-18)21-9-3-12-29(21)35(33,34)14-4-11-28-13-10-22(30)27-23(28)31/h1-2,5-8,10,13,15-16,21,32H,3-4,9,11-12,14H2,(H,27,30,31)
  • InChiKey: MTEJEQAHGHQUCJ-UHFFFAOYSA-N  


Substructure search Similarity search

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 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii putative 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
Cryptosporidium parvum deoxyuridinetriphosphatase, possible bacterial origin 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
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing 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
Entamoeba histolytica hypothetical protein 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
Toxoplasma gondii 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
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
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
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative Get druggable targets OG5_126992 All targets in OG5_126992
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 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
Plasmodium berghei deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 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
Neospora caninum deoxyuridine 5-triphosphate nucleotidohydrolase, putative 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
Candida albicans dUTP pyrophosphatase gene isolated by genetic complementation in S. cerevisiae. 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
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 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
Brugia malayi dUTP diphosphatase Get druggable targets OG5_126992 All targets in OG5_126992
Echinococcus granulosus dUTP pyrophosphatase 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
Entamoeba histolytica hypothetical 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
Entamoeba histolytica hypothetical protein 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
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
Schistosoma mansoni hypothetical protein 0.0101 0.0689 0.0644
Onchocerca volvulus 0.0101 0.0689 0.0644
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0048 0.0181
Schistosoma mansoni lozenge 0.0065 0.0297 0.0251
Brugia malayi beta-lactamase family protein 0.0042 0.0048 0.002
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 0.0584 0.2083
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 0.0584 0.2083
Echinococcus granulosus tissue type plasminogen activator 0.0278 0.2622 1
Entamoeba histolytica hypothetical protein 0.0091 0.0584 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Schistosoma mansoni tar DNA-binding protein 0.0065 0.03 0.0254
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0101 0.0689 0.2626
Schistosoma mansoni bromodomain containing protein 0.0066 0.0313 0.0267
Brugia malayi mbt repeat family protein 0.0056 0.0197 0.017
Toxoplasma gondii kringle domain-containing protein 0.0278 0.2622 1
Brugia malayi Bromodomain containing protein 0.0079 0.0448 0.0422
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.022 0.1985 0.7571
Echinococcus multilocularis SAM and MBT domain containing protein 0.0056 0.0197 0.075
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0278 0.2622 1
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0091 0.0584 1
Onchocerca volvulus 0.0101 0.0689 0.0644
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 0.0584 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.03 0.1145
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0272 0.1038
Loa Loa (eye worm) hypothetical protein 0.0101 0.0689 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0065 0.03 0.0254
Loa Loa (eye worm) hypothetical protein 0.0043 0.0055 0.0027
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Echinococcus granulosus endonuclease exonuclease phosphatase 0.022 0.1985 0.7571
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 0.0584 1
Brugia malayi beta-lactamase 0.0042 0.0048 0.002
Echinococcus multilocularis glycoprotein Antigen 5 0.0101 0.0689 0.2626
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0091 0.0584 0.5
Loa Loa (eye worm) TAR-binding protein 0.0065 0.03 0.0273
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Loa Loa (eye worm) MBCTL1 0.0063 0.0281 0.0254
Loa Loa (eye worm) mbt repeat family protein 0.0056 0.0197 0.0169
Schistosoma mansoni hypothetical protein 0.0339 0.3286 0.3254
Brugia malayi RNA binding protein 0.0065 0.03 0.0274
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0091 0.0584 0.0539
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0048 0.002
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 0.0584 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.03 0.0274
Loa Loa (eye worm) hypothetical protein 0.0101 0.0689 0.0663
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.0644
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0158 0.0131
Loa Loa (eye worm) hypothetical protein 0.0052 0.0158 0.013
Schistosoma mansoni tar DNA-binding protein 0.0065 0.03 0.0254
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Loa Loa (eye worm) hypothetical protein 0.0101 0.0689 0.0663
Entamoeba histolytica hypothetical protein 0.0091 0.0584 1
Brugia malayi hypothetical protein 0.0101 0.0689 0.0663
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Echinococcus granulosus enteropeptidase 0.0101 0.0689 0.2626
Loa Loa (eye worm) RNA binding protein 0.0065 0.03 0.0273
Brugia malayi hypothetical protein 0.0518 0.524 0.5227
Brugia malayi Kringle domain containing protein 0.0278 0.2622 0.2602
Echinococcus multilocularis Protein lozenge 0.0065 0.0297 0.1134
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.2626
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Schistosoma mansoni tar DNA-binding protein 0.0065 0.03 0.0254
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Loa Loa (eye worm) TK/ROR protein kinase 0.0278 0.2622 0.2602
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0197 0.015
Loa Loa (eye worm) trypsin family protein 0.0101 0.0689 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0065 0.03 0.0254
Brugia malayi beta-lactamase family protein 0.0042 0.0048 0.002
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.0644
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Echinococcus granulosus SAM and MBT domain containing protein 0.0056 0.0197 0.075
Loa Loa (eye worm) hypothetical protein 0.0056 0.0197 0.0169
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0158 0.0131
Brugia malayi TAR-binding protein 0.0065 0.03 0.0274
Echinococcus multilocularis dUTP pyrophosphatase 0.0091 0.0584 0.2227
Echinococcus multilocularis transmembrane protease serine 3 0.0101 0.0689 0.2626
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0101 0.0689 0.2626
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Loa Loa (eye worm) hypothetical protein 0.0074 0.0399 0.0372
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0281 0.1071
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0091 0.0584 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0281 0.0254
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0281 0.1071
Echinococcus multilocularis tar DNA binding protein 0.0065 0.03 0.1145
Loa Loa (eye worm) hypothetical protein 0.0101 0.0689 0.0663
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0281 0.0234
Mycobacterium leprae Probable lipase LipE 0.0042 0.0048 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0101 0.0689 0.2626
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0091 0.0584 1
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.0197 0.075
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.0644
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0281 0.1071
Brugia malayi Trypsin-like protease protein 5 0.0101 0.0689 0.0663
Onchocerca volvulus 0.0101 0.0689 0.0644
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0101 0.0689 0.0663
Onchocerca volvulus 0.0853 0.89 0.8895
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.0197 0.015
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.0197 0.075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0158 0.013
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0048 0.002
Loa Loa (eye worm) hypothetical protein 0.0042 0.0048 0.002
Loa Loa (eye worm) hypothetical protein 0.0954 1 1
Onchocerca volvulus 0.0101 0.0689 0.0644
Echinococcus granulosus Mastin 0.0101 0.0689 0.2626
Loa Loa (eye worm) hypothetical protein 0.0278 0.2622 0.2602
Plasmodium falciparum cysteine repeat modular protein 1 0.0278 0.2622 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0077 0.0049
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Echinococcus multilocularis enteropeptidase 0.0101 0.0689 0.2626
Echinococcus multilocularis Mastin 0.0101 0.0689 0.2626
Trypanosoma cruzi hypothetical protein, conserved 0.0278 0.2622 1
Loa Loa (eye worm) beta-lactamase 0.0042 0.0048 0.002
Schistosoma mansoni hypothetical protein 0.0278 0.2622 0.2587
Schistosoma mansoni cercarial elastase (S01 family) 0.0101 0.0689 0.0644
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.0644
Echinococcus granulosus transmembrane protease serine 3 0.0101 0.0689 0.2626
Loa Loa (eye worm) hypothetical protein 0.0518 0.524 0.5226
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0056 0.0197 0.015
Leishmania major hypothetical protein, conserved 0.0278 0.2622 1
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0048 0.5
Loa Loa (eye worm) dUTP diphosphatase 0.0091 0.0584 0.0558
Brugia malayi Protein kinase domain containing protein 0.0278 0.2622 0.2602
Schistosoma mansoni hypothetical protein 0.0101 0.0689 0.0644
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0091 0.0584 1
Brugia malayi mbt repeat family protein 0.0056 0.0197 0.017
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0281 0.1071
Onchocerca volvulus 0.0056 0.0197 0.015
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.2522 1
Brugia malayi Trypsin family protein 0.0101 0.0689 0.0663
Echinococcus granulosus dUTP pyrophosphatase 0.0091 0.0584 0.2227
Onchocerca volvulus 0.0518 0.524 0.5217
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.03 0.0273
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0254
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0056 0.0197 0.015
Echinococcus multilocularis tissue type plasminogen activator 0.0278 0.2622 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0954 1 1
Onchocerca volvulus 0.0101 0.0689 0.0644
Loa Loa (eye worm) hypothetical protein 0.0518 0.524 0.5226
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0954 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0048 0.0181
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0272 0.1038
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0101 0.0689 0.0644
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0091 0.0584 0.5
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0048 0.5
Brugia malayi Trypsin family protein 0.0101 0.0689 0.0663
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0101 0.0689 0.0644
Onchocerca volvulus 0.0954 1 1
Brugia malayi dUTP diphosphatase 0.0091 0.0584 0.0558
Loa Loa (eye worm) hypothetical protein 0.0101 0.0689 0.0663
Onchocerca volvulus 0.0278 0.2622 0.2587
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0091 0.0584 0.5
Loa Loa (eye worm) hypothetical protein 0.0954 1 1
Mycobacterium ulcerans hypothetical protein 0.0101 0.0689 1
Echinococcus granulosus glycoprotein Antigen 5 0.0101 0.0689 0.2626
Loa Loa (eye worm) runx1 0.0065 0.0297 0.027
Brugia malayi Trypsin family protein 0.0101 0.0689 0.0663

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 380 nM BindingDB_Patents: Inhibition Assay. The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate. ChEMBL. No reference

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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