Detailed information for compound 833868

Basic information

Technical information
  • TDR Targets ID: 833868
  • Name: 8-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2 ,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiaz ine-9-carbonitrile
  • MW: 425.931 | Formula: C22H20ClN3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)Cl
  • InChi: 1S/C22H20ClN3O2S/c1-2-28-18-9-7-17(8-10-18)25-13-26-21(27)11-19(15-3-5-16(23)6-4-15)20(12-24)22(26)29-14-25/h3-10,19H,2,11,13-14H2,1H3
  • InChiKey: SDVPTHQOULSKQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-keto-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

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
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0024 0 0.5
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0118 0.4765 0.4889
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0061 0.1881 0.3947
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0024 0 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.008 0.2884 0.4203
Schistosoma mansoni hypothetical protein 0.0172 0.7534 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0061 0.1881 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0061 0.1881 0.3947
Schistosoma mansoni hypothetical protein 0.0172 0.7534 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0216 0.9746 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0118 0.4765 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0055 0.1608 0.165
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.1881 0.1881
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0118 0.4765 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0118 0.4765 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.4954 0.5083
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0061 0.1881 0.3947
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4765 1
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0103 0.4036 0.4141
Leishmania major phosphatidylinositol 3-kinase, putative 0.0024 0 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0118 0.4765 0.6324
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0061 0.1881 0.3947
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0118 0.4765 0.4765
Entamoeba histolytica hypothetical protein 0.008 0.2884 0.4203
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0042 0.0954 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0164 0.7116 0.9445
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0061 0.1881 0.3947
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.4765 0.6944
Echinococcus granulosus geminin 0.0172 0.7534 0.7731
Brugia malayi MH2 domain containing protein 0.0121 0.4954 0.4954
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0216 0.9746 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0118 0.4765 0.4889
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.4954 0.5083
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.008 0.2884 0.4203
Loa Loa (eye worm) phosphatidylinositol 3 0.008 0.2884 0.2959
Loa Loa (eye worm) hypothetical protein 0.0216 0.9746 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0112 0.4492 0.6546
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0061 0.1881 0.3947
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0055 0.1608 0.3375
Echinococcus multilocularis geminin 0.0172 0.7534 0.7731
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0024 0 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0159 0.6862 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0118 0.4765 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0061 0.1881 0.2741
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0024 0 0.5
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0024 0 0.5

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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