Detailed information for compound 834917

Basic information

Technical information
  • TDR Targets ID: 834917
  • Name: 4-[(4-fluorophenyl)methyl]-N-(3-propan-2-ylox ypropyl)-2,3-dihydro-1,4-benzothiazine-6-carb oxamide
  • MW: 402.525 | Formula: C22H27FN2O2S
  • H donors: 1 H acceptors: 1 LogP: 4.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OCCCNC(=O)c1ccc2c(c1)N(CCS2)Cc1ccc(cc1)F)C
  • InChi: 1S/C22H27FN2O2S/c1-16(2)27-12-3-10-24-22(26)18-6-9-21-20(14-18)25(11-13-28-21)15-17-4-7-19(23)8-5-17/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,26)
  • InChiKey: MMPHWENBLQGKQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-fluorophenyl)methyl]-N-(3-isopropoxypropyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
  • 4-(4-fluorobenzyl)-N-(3-isopropoxypropyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

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
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0265 0.1024 0.4713
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.04 0.1869 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0651 0.3434 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1701 1 0.5
Entamoeba histolytica hypothetical protein 0.0312 0.1318 0.6552
Echinococcus granulosus dihydrofolate reductase 0.1701 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.1701 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0651 0.3434 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0193 0.0574 0.1894
Brugia malayi Dihydrofolate reductase 0.1701 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0651 0.3434 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1701 1 0.5
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.04 0.1869 0.0525
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.033 0.1434 0.1195
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0651 0.3434 0.5
Loa Loa (eye worm) hypothetical protein 0.0328 0.1418 0.1312
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.04 0.1869 0.1359
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.04 0.1869 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.04 0.1869 0.5172
Schistosoma mansoni dihydrofolate reductase 0.1701 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1701 1 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0144 0.0271 0.0246
Echinococcus multilocularis dihydrofolate reductase 0.1701 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0132 0.0192 0.007
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0651 0.3434 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.04 0.1869 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0191 0.0565 0.1839
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.04 0.1869 0.5172
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0312 0.1318 0.6552
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0387 0.1789 0.95
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.04 0.1869 0.0525
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.04 0.1869 0.1642
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0651 0.3434 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0265 0.1024 0.4713
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0177 0.0474 1
Chlamydia trachomatis dihydrofolate reductase 0.1701 1 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.04 0.1869 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0312 0.1318 0.121

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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