Detailed information for compound 763461

Basic information

Technical information
  • TDR Targets ID: 763461
  • Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylp henoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop -2-enenitrile
  • MW: 491.946 | Formula: C25H18ClN3O4S
  • H donors: 0 H acceptors: 4 LogP: 4.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1c(Oc2ccc(cc2)CC)nc2n(c1=O)cccc2)S(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C25H18ClN3O4S/c1-2-17-6-10-19(11-7-17)33-24-22(25(30)29-14-4-3-5-23(29)28-24)15-21(16-27)34(31,32)20-12-8-18(26)9-13-20/h3-15H,2H2,1H3/b21-15+
  • InChiKey: OEJLAMGCIOYMHE-RCCKNPSSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
  • (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
  • 2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
  • 2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enenitrile
  • (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enenitrile
  • 2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile
  • (E)-2-(4-chlorophenyl)sulfonyl-3-[2-(4-ethylphenoxy)-4-keto-pyrido[1,2-a]pyrimidin-3-yl]acrylonitrile
  • STOCK4S-47252

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
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.776 0.5
Schistosoma mansoni kinase 0.0047 0.3584 0.4619
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.776 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3397 0.4378
Echinococcus multilocularis tar DNA binding protein 0.0065 0.5172 0.6665
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3397 0.4378
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3397 0.4378
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.776 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.776 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.776 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3397 0.3397
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 1 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.5172 0.5172
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.776 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.5172 0.6665
Schistosoma mansoni tar DNA-binding protein 0.0065 0.5172 0.6665
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3397 0.4378
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.776 0.776
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3397 0.4378
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.776 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3397 0.4378
Schistosoma mansoni tar DNA-binding protein 0.0065 0.5172 0.6665
Schistosoma mansoni tar DNA-binding protein 0.0065 0.5172 0.6665
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.776 0.5
Brugia malayi RNA binding protein 0.0065 0.5172 0.5172
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.5172 0.6665
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.776 0.5
Brugia malayi TAR-binding protein 0.0065 0.5172 0.5172
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3397 0.4378
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.5172 0.5172
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.776 0.776
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3397 0.3397
Loa Loa (eye worm) RNA binding protein 0.0065 0.5172 0.5172
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.5172 0.5172
Schistosoma mansoni tar DNA-binding protein 0.0065 0.5172 0.6665
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.776 1
Giardia lamblia Kinase, PLK 0.0093 0.776 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0117 1 1

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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