Detailed information for compound 738115

Basic information

Technical information
  • TDR Targets ID: 738115
  • Name: 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin- 2-yl)sulfanyl]-N,N-di(phenyl)acetamide
  • MW: 410.446 | Formula: C20H18N4O4S
  • H donors: 3 H acceptors: 6 LogP: 2.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1c(O)nc(nc1O)SCC(=O)N(c1ccccc1)c1ccccc1
  • InChi: 1S/C20H18N4O4S/c1-13(25)21-17-18(27)22-20(23-19(17)28)29-12-16(26)24(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,25)(H2,22,23,27,28)
  • InChiKey: VHZKIEBUPSKSOA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-N,N-di(phenyl)acetamide
  • 2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N,N-di(phenyl)acetamide
  • 2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(phenyl)ethanamide
  • CBKinase1_007489
  • CBKinase1_019889
  • STK211783

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
Mycobacterium ulcerans beta-lactamase 0.0036 0.1218 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1218 0.5405
Toxoplasma gondii ABC1 family protein 0.0036 0.1218 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0949 0.3938
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0783 0.0895
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1695 0.703
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1218 0.0473
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1218 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.063 0.2794
Plasmodium falciparum flap endonuclease 1 0.0026 0.0783 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0949 0.3938
Loa Loa (eye worm) hypothetical protein 0.0047 0.1695 0.1939
Echinococcus granulosus flap endonuclease 1 0.0026 0.0783 0.3473
Brugia malayi PHD-finger family protein 0.0025 0.0733 0.0839
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1218 0.1394
Trichomonas vaginalis esterase, putative 0.0036 0.1218 0.0473
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0783 0.3473
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.063 0.2794
Mycobacterium ulcerans lipase LipD 0.0036 0.1218 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1218 1
Brugia malayi MH2 domain containing protein 0.012 0.4864 0.5563
Brugia malayi beta-lactamase 0.0036 0.1218 0.1394
Brugia malayi Pre-SET motif family protein 0.003 0.0949 0.1086
Trichomonas vaginalis set domain proteins, putative 0.0238 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1218 0.5405
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1695 0.703
Schistosoma mansoni hypothetical protein 0.0015 0.0313 0.1299
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0901 0.3999
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.039 0.1617
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1218 0.1394
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0783 0.5
Brugia malayi Bromodomain containing protein 0.0075 0.2923 0.3343
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0546 0.0625
Onchocerca volvulus 0.0036 0.1218 0.0297
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0783 0.5
Brugia malayi Bromodomain containing protein 0.0038 0.1319 0.1508
Schistosoma mansoni hypothetical protein 0.0021 0.0546 0.2267
Loa Loa (eye worm) hypothetical protein 0.0039 0.1322 0.1512
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1218 0.5054
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.039 0.173
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1215 0.5391
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0783 0.5188
Onchocerca volvulus 0.0036 0.1218 0.0297
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.039 0.1617
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Loa Loa (eye worm) hypothetical protein 0.0071 0.2736 0.313
Brugia malayi beta-lactamase family protein 0.0036 0.1218 0.1394
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1695 0.7519
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.1218 1
Plasmodium vivax SET domain protein, putative 0.003 0.0949 0.3824
Mycobacterium leprae conserved hypothetical protein 0.0036 0.1218 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1425 0.163
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2254 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1218 0.0473
Brugia malayi Pre-SET motif family protein 0.0209 0.8743 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1215 0.5391
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0949 0.4212
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0949 0.3824
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1218 0.0473
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.039 0.173
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4864 0.5563
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1218 0.5054
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Brugia malayi Flap endonuclease-1 0.0026 0.0783 0.0895
Schistosoma mansoni bromodomain containing protein 0.0064 0.2411 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1218 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Schistosoma mansoni zinc finger protein 0.002 0.05 0.2075
Loa Loa (eye worm) hypothetical protein 0.0043 0.1509 0.1726
Schistosoma mansoni flap endonuclease-1 0.0024 0.0674 0.2794
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.063 0.2613
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.1218 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8743 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1218 0.0473
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0783 0.5188
Mycobacterium leprae Probable lipase LipE 0.0036 0.1218 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.1218 0.1394
Loa Loa (eye worm) hypothetical protein 0.0036 0.1218 0.1394
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1695 0.7519
Mycobacterium ulcerans hypothetical protein 0.0036 0.1218 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.1218 1
Echinococcus multilocularis zinc finger protein 0.002 0.05 0.2219
Schistosoma mansoni zinc finger protein 0.0015 0.0313 0.1299
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0417 0.0477
Echinococcus granulosus zinc finger protein 0.002 0.05 0.2219
Onchocerca volvulus 0.0036 0.1218 0.0297
Loa Loa (eye worm) beta-lactamase 0.0036 0.1218 0.1394
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.1218 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4864 0.5563
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2254 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.9701 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1218 0.0473
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0783 0.5188

Activities

No activities found for this compound.

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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