Detailed information for compound 1334335

Basic information

Technical information
  • TDR Targets ID: 1334335
  • Name: 6-hydroxy-1-(4-methylphenyl)-2-(2-oxo-2-piper idin-1-ylethyl)sulfanylpyrimidin-4-one
  • MW: 359.443 | Formula: C18H21N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1c(SCC(=O)N2CCCCC2)nc(=O)cc1O
  • InChi: 1S/C18H21N3O3S/c1-13-5-7-14(8-6-13)21-16(23)11-15(22)19-18(21)25-12-17(24)20-9-3-2-4-10-20/h5-8,11,23H,2-4,9-10,12H2,1H3
  • InChiKey: UKUGPLWWCFKHIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-hydroxy-1-(4-methylphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-one
  • 6-hydroxy-1-(4-methylphenyl)-2-[[2-oxo-2-(1-piperidyl)ethyl]thio]-4-pyrimidinone
  • 6-hydroxy-2-[(2-keto-2-piperidino-ethyl)thio]-1-(4-methylphenyl)pyrimidin-4-one
  • 6-hydroxy-1-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-one
  • SMR000431639
  • STOCK1S-71486
  • Oprea1_189785
  • 6-Hydroxy-2-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-3-p-tolyl-3H-pyrimidin-4-one
  • MLS000768318

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.1102 1 1
Schistosoma mansoni DNA topoisomerase II 0.0224 0.1711 0.1083
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0877 0.788 0.788
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0242 0.1874 0.1259
Leishmania major heat shock protein 83-1 0.1102 1 1
Echinococcus multilocularis Nicastrin 0.0118 0.0704 0.0704
Echinococcus granulosus presenilin enhancer 2 0.0227 0.1734 0.1734
Trypanosoma cruzi heat shock protein 85, putative 0.1102 1 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0224 0.1711 0.1711
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0224 0.1711 0.1083
Leishmania major heat shock protein 83-1 0.1102 1 1
Brugia malayi hypothetical protein 0.0118 0.0704 0.0326
Trichomonas vaginalis heat shock protein, putative 0.0877 0.788 0.772
Loa Loa (eye worm) heat shock protein 75 0.0451 0.3856 0.3606
Echinococcus multilocularis endoplasmin 0.0877 0.788 0.788
Brugia malayi Presenilin family protein 0.0242 0.1874 0.1544
Plasmodium vivax heat shock protein 86, putative 0.1102 1 1
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0224 0.1711 0.1083
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0224 0.1711 0.1711
Echinococcus multilocularis heat shock protein 0.1102 1 1
Trichomonas vaginalis heat shock protein, putative 0.1102 1 1
Brugia malayi kinase, mitochondrial precursor 0.0224 0.1711 0.1374
Trypanosoma cruzi DNA topoisomerase II, putative 0.0224 0.1711 0.1711
Leishmania major heat shock protein 83-1 0.1102 1 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0877 0.788 1
Toxoplasma gondii heat shock protein 90, putative 0.1102 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0224 0.1711 0.1711
Trichomonas vaginalis heat shock protein, putative 0.0676 0.5976 0.5671
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0224 0.1711 0.1711
Trypanosoma brucei DNA topoisomerase ii 0.0224 0.1711 0.1711
Trypanosoma cruzi heat shock protein 90, putative 0.1102 1 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0224 0.1711 0.1083
Loa Loa (eye worm) endoplasmin 0.1102 1 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0451 0.3856 0.3856
Entamoeba histolytica heat shock protein 90, putative 0.1102 1 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0451 0.3856 0.3856
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0224 0.1711 0.1511
Trypanosoma brucei heat shock protein 84, putative 0.0451 0.3856 0.3856
Trichomonas vaginalis endoplasmin, putative 0.0676 0.5976 0.5671
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0242 0.1874 0.1259
Leishmania major heat shock protein 83-1 0.1102 1 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0451 0.3856 0.3708
Leishmania major heat shock protein 83-1 0.1102 1 1
Leishmania major heat shock protein 83-1 0.1102 1 1
Leishmania major heat shock protein 83-1 0.1102 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.0225 0.1712 0.1712
Loa Loa (eye worm) hypothetical protein 0.0118 0.0704 0.0326
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0224 0.1711 0.1711
Entamoeba histolytica presenilin 1 peptidase, putative 0.0242 0.1874 0.1874
Echinococcus multilocularis heat shock protein 90 0.1102 1 1
Brugia malayi heat shock protein 90 0.1102 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1711 0.1374
Giardia lamblia Heat shock protein HSP 90-alpha 0.1102 1 1
Schistosoma mansoni endoplasmin 0.1102 1 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0224 0.1711 0.1711
Entamoeba histolytica heat shock protein 90, putative 0.1102 1 1
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0224 0.1711 0.1083
Leishmania major heat shock protein 83-1 0.1102 1 1
Giardia lamblia Grp94/Hsp90 0.0877 0.788 0.7443
Trichomonas vaginalis sensor histidine kinase, putative 0.0224 0.1711 0.1083
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0224 0.1711 0.1511
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0224 0.1711 0.1711
Echinococcus multilocularis heat shock protein 90 0.0877 0.788 0.788
Trypanosoma cruzi heat shock protein 90, putative 0.0877 0.788 0.788
Plasmodium vivax heat shock protein 90, putative 0.0451 0.3856 0.2588
Leishmania major heat shock protein 83-1 0.1102 1 1
Trichomonas vaginalis heat shock protein, putative 0.0877 0.788 0.772
Trypanosoma brucei heat shock protein 90, putative 0.1102 1 1
Brugia malayi hypothetical protein 0.0118 0.0704 0.0326
Echinococcus granulosus heat shock protein 90 0.1102 1 1
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0242 0.1874 0.1678
Echinococcus granulosus endoplasmin 0.0877 0.788 0.788
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0242 0.1874 0.1259
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0451 0.3856 1
Loa Loa (eye worm) TOPoisomerase family member 0.0224 0.1711 0.1374
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Leishmania major hypothetical protein, conserved 0.0224 0.1711 0.1511
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0877 0.788 1
Echinococcus granulosus heat shock protein 0.1102 1 1
Schistosoma mansoni heat shock protein 0.1102 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1102 1 1
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.1102 1 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0242 0.1874 0.1874
Echinococcus granulosus Nicastrin 0.0118 0.0704 0.0704
Leishmania major heat shock protein 83-1 0.1102 1 1
Trypanosoma brucei Aph-1 protein, putative 0.0225 0.1712 0.1712
Trypanosoma cruzi heat shock protein, putative 0.0451 0.3856 0.3856
Chlamydia trachomatis DNA gyrase subunit B 0.0224 0.1711 0.5
Leishmania major heat shock protein 83-1 0.1102 1 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0224 0.1711 0.1711
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0224 0.1711 0.1083
Leishmania major mitochondrial DNA topoisomerase II 0.0224 0.1711 0.1511
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Schistosoma mansoni heat shock protein 0.1102 1 1
Echinococcus granulosus heat shock protein 90 0.0877 0.788 0.788
Entamoeba histolytica DNA topoisomerase II, putative 0.0224 0.1711 0.1711
Chlamydia trachomatis DNA gyrase subunit B 0.0224 0.1711 0.5
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0227 0.1734 0.1398
Leishmania major heat shock protein 83-1 0.1102 1 1
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0068 0.0236 0.0236
Echinococcus multilocularis Nicastrin 0.0118 0.0704 0.0704
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0224 0.1711 0.1711
Trypanosoma brucei heat shock protein 90, putative 0.1102 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0877 0.788 0.788
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0877 0.788 0.7829
Trypanosoma cruzi Heat shock protein 83, putative 0.1102 1 1
Brugia malayi gamma-secretase subunit aph-1 0.0576 0.5035 0.4833
Giardia lamblia Heat shock protein HSP 90-alpha 0.0877 0.788 0.7443
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0242 0.1874 0.1259
Brugia malayi gamma-secretase subunit pen-2 0.0227 0.1734 0.1398
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0576 0.5035 0.4833
Trichomonas vaginalis heat shock protein, putative 0.0877 0.788 0.772
Trichomonas vaginalis DNA topoisomerase II, putative 0.0224 0.1711 0.1083
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0224 0.1711 0.5
Treponema pallidum heat shock protein 90 0.0877 0.788 1
Plasmodium vivax heat shock protein, putative 0.0451 0.3856 0.2588
Echinococcus multilocularis gamma secretase subunit aph 1 0.0576 0.5035 0.5035
Plasmodium falciparum heat shock protein 90, putative 0.0451 0.3856 0.2588
Plasmodium falciparum heat shock protein 90, putative 0.0451 0.3856 0.2588
Leishmania major heat shock protein 83-1 0.1102 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.1711 0.1374
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0877 0.788 1
Leishmania major heat shock protein, putative 0.0451 0.3856 0.3708
Leishmania major developmentally regulated phosphoprotein-like protein 0.0224 0.1711 0.1511
Mycobacterium ulcerans heat shock protein 90 0.0877 0.788 1
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0242 0.1874 0.1874
Brugia malayi Probable DNA topoisomerase II 0.0224 0.1711 0.1374
Toxoplasma gondii DNA topoisomerase 2, putative 0.0224 0.1711 0.1511
Echinococcus multilocularis presenilin 0.0242 0.1874 0.1874
Loa Loa (eye worm) heat shock protein 90 0.1102 1 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0224 0.1711 0.1711
Toxoplasma gondii heat shock protein HSP90 0.1102 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0224 0.1711 0.1711
Loa Loa (eye worm) hypothetical protein 0.0224 0.1711 0.1374
Plasmodium falciparum endoplasmin, putative 0.0676 0.5976 0.5145
Leishmania major heat shock protein 83-1 0.1102 1 1
Leishmania major DNA topoisomerase ii 0.0224 0.1711 0.1511
Schistosoma mansoni gamma-secretase subunit aph-1 0.0576 0.5035 0.4659
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0451 0.3856 0.3856
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Plasmodium vivax endoplasmin, putative 0.1102 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0224 0.1711 0.1511
Echinococcus granulosus gamma secretase subunit aph 1 0.0576 0.5035 0.5035
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0224 0.1711 0.1374
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0224 0.1711 0.1711
Trichomonas vaginalis heat shock protein, putative 0.0451 0.3856 0.3391
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0224 0.1711 0.1083
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0224 0.1711 0.1374
Toxoplasma gondii hypothetical protein 0.0085 0.0391 0.0159
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0242 0.1874 0.1874
Trypanosoma cruzi Aph-1 protein, putative 0.0225 0.1712 0.1712
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0224 0.1711 0.1083
Leishmania major heat shock protein 83-1 0.1102 1 1
Schistosoma mansoni heat shock protein 0.0451 0.3856 0.3391
Schistosoma mansoni pyruvate dehydrogenase 0.0224 0.1711 0.1083
Leishmania major heat shock protein 83-1 0.1102 1 1
Toxoplasma gondii heat shock protein 75, putative 0.0451 0.3856 0.3708
Echinococcus multilocularis presenilin enhancer 2 0.0227 0.1734 0.1734
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0224 0.1711 0.1711
Brugia malayi Hsp90 protein 0.0451 0.3856 0.3606
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0224 0.1711 0.1711
Echinococcus granulosus presenilin 0.0242 0.1874 0.1874
Schistosoma mansoni endoplasmin 0.1102 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1102 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.065 0.5735 0.5735
Trypanosoma brucei heat shock protein, putative 0.1102 1 1
Plasmodium falciparum heat shock protein 90 0.1102 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.006 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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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