Detailed information for compound 1646310

Basic information

Technical information
  • TDR Targets ID: 1646310
  • Name: (3Z)-3-[2-(2,4-dimethylphenyl)-2-oxoethyliden e]-4H-1,4-benzothiazin-2-one
  • MW: 309.382 | Formula: C18H15NO2S
  • H donors: 1 H acceptors: 2 LogP: 4.36 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)C(=O)/C=c/1\[nH]c2ccccc2sc1=O
  • InChi: 1S/C18H15NO2S/c1-11-7-8-13(12(2)9-11)16(20)10-15-18(21)22-17-6-4-3-5-14(17)19-15/h3-10,19H,1-2H3/b15-10-
  • InChiKey: ZGLAYWKVRWVHGA-GDNBJRDFSA-N  

Network

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Synonyms

  • (3Z)-3-[2-(2,4-dimethylphenyl)-2-oxo-ethylidene]-4H-1,4-benzothiazin-2-one
  • (3Z)-3-[2-(2,4-dimethylphenyl)-2-keto-ethylidene]-4H-1,4-benzothiazin-2-one
  • NSC720442

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
Schistosoma mansoni histone deacetylase 4 5 0.033 0.8729 0.6371
Plasmodium vivax histone deacetylase, putative 0.033 0.8729 1
Trypanosoma brucei histone deacetylase 3 0.033 0.8729 1
Toxoplasma gondii histone deacetylase HDAC1 0.033 0.8729 1
Leishmania major histone deacetylase, putative 0.033 0.8729 1
Trichomonas vaginalis AGC family protein kinase 0.0306 0.7207 1
Entamoeba histolytica protein kinase, putative 0.0306 0.7207 1
Schistosoma mansoni serine/threonine protein kinase 0.0306 0.7207 0.2028
Brugia malayi Histone deacetylase family protein 0.033 0.8729 1
Trypanosoma cruzi histone deacetylase, putative 0.033 0.8729 1
Echinococcus multilocularis histone deacetylase 6 0.033 0.8729 0.6371
Echinococcus multilocularis histone deacetylase 0.033 0.8729 0.6371
Trypanosoma brucei histone deacetylase, putative 0.033 0.8729 1
Trichomonas vaginalis AGC family protein kinase 0.0306 0.7207 1
Trypanosoma brucei histone deacetylase 4 0.033 0.8729 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.1271 0.1456
Plasmodium falciparum histone deacetylase, putative 0.033 0.8729 1
Loa Loa (eye worm) histone deacetylase 1 0.0294 0.6497 0.7443
Plasmodium vivax histone deacetylase 2, putative 0.033 0.8729 1
Plasmodium falciparum histone deacetylase 2 0.033 0.8729 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0306 0.7207 0.8257
Echinococcus granulosus histone deacetylase 0.033 0.8729 0.6371
Schistosoma mansoni histone deacetylase 4 5 0.033 0.8729 0.6371
Loa Loa (eye worm) hypothetical protein 0.0294 0.6497 0.7443
Schistosoma mansoni histone deacetylase hda2 0.0351 1 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0306 0.7207 0.2028
Echinococcus multilocularis histone deacetylase 6 0.0351 1 1
Trypanosoma cruzi histone deacetylase, putative 0.033 0.8729 1
Echinococcus granulosus histone deacetylase 7 0.033 0.8729 0.6371
Brugia malayi Protein kinase domain containing protein 0.0306 0.7207 0.3182
Loa Loa (eye worm) histone deacetylase 0.033 0.8729 1
Leishmania major histone deacetylase, putative 0.033 0.8729 1
Echinococcus granulosus histone deacetylase 6 0.033 0.8729 0.6371
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0306 0.7207 0.2028
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0306 0.7207 0.8257
Echinococcus granulosus histone deacetylase 6 0.033 0.8729 0.6371
Brugia malayi Histone deacetylase family protein 0.033 0.8729 1
Giardia lamblia Histone deacetylase 0.0294 0.6497 0.5
Trypanosoma cruzi histone deacetylase, putative 0.033 0.8729 1
Echinococcus multilocularis histone deacetylase 6 0.033 0.8729 0.6371
Loa Loa (eye worm) histone deacetylase 7A 0.033 0.8729 1
Trichomonas vaginalis AGC family protein kinase 0.0306 0.7207 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0306 0.7207 0.3182
Echinococcus multilocularis histone deacetylase 7 0.033 0.8729 0.6371
Loa Loa (eye worm) histone deacetylase 3 0.0294 0.6497 0.7443

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.631 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.571 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.544 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.488 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.433 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.397 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.367 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.206 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.121 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (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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