Detailed information for compound 863555

Basic information

Technical information
  • TDR Targets ID: 863555
  • Name: N-[2-chloro-4-[(4-fluorophenyl)methylcarbamoy l]-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4- oxathiine-3-carboxamide
  • MW: 450.911 | Formula: C21H20ClFN2O4S
  • H donors: 2 H acceptors: 2 LogP: 3.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)C2=C(C)OCCS2)c(cc1C(=O)NCc1ccc(cc1)F)Cl
  • InChi: 1S/C21H20ClFN2O4S/c1-12-19(30-8-7-29-12)21(27)25-17-10-18(28-2)15(9-16(17)22)20(26)24-11-13-3-5-14(23)6-4-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,26)(H,25,27)
  • InChiKey: CZQYGFAVISSQME-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-chloro-4-[(4-fluorophenyl)methylcarbamoyl]-5-methoxy-phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
  • N-[2-chloro-4-[[(4-fluorophenyl)methylamino]-oxomethyl]-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
  • N-[2-chloro-4-[(4-fluorobenzyl)carbamoyl]-5-methoxy-phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-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
Echinococcus granulosus p2X purinoceptor 4 0.0281 0.164 0.578
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0053 0.0125 0.0457
Loa Loa (eye worm) hypothetical protein 0.0254 0.1463 0.533
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0447 0.2745 1
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0071 0.0241 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0092 0.0384 0.0704
Brugia malayi Telomerase reverse transcriptase 0.023 0.1305 0.4753
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0447 0.2745 1
Schistosoma mansoni P2X receptor subunit 0.0139 0.0697 0.0697
Echinococcus multilocularis survival motor neuron protein 1 0.0254 0.1463 0.4953
Echinococcus multilocularis ras gtpase 0.015 0.0768 0.2217
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0106 0.0387
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0053 0.0125 0.0457
Trypanosoma brucei RNA helicase, putative 0.0371 0.2244 0.8086
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0447 0.2745 0.2745
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Echinococcus multilocularis p2X purinoceptor 4 0.0281 0.164 0.5648
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.039 0.0728
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Schistosoma mansoni P2X receptor subunit 0.0281 0.164 0.164
Echinococcus granulosus expressed protein 0.0401 0.2442 0.8844
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0071 0.0241 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0092 0.0384 0.0988
Plasmodium vivax telomerase reverse transcriptase, putative 0.0087 0.0347 0.8574
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0205 0.0305
Schistosoma mansoni P2X receptor subunit 0.0281 0.164 0.164
Echinococcus granulosus ras gtpase 0.015 0.0768 0.2455
Schistosoma mansoni survival motor neuron protein 0.0052 0.0116 0.0116
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.039 0.039
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0447 0.2745 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0447 0.2745 1
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0205 0.0305
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0447 0.2745 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0053 0.0125 0.0052
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Schistosoma mansoni hypothetical protein 0.0052 0.0116 0.0116
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0106 0.0387
Brugia malayi GTP-binding protein, identical 0.015 0.0768 0.2799
Onchocerca volvulus 0.0093 0.039 0.1506
Brugia malayi translation initiation factor 4E 0.0447 0.2745 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 0.0384
Echinococcus granulosus p2X purinoceptor 4 0.0281 0.164 0.578
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0106 0.0387
Echinococcus multilocularis expressed protein 0.0401 0.2442 0.8808
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0205 0.0305
Trypanosoma brucei telomerase reverse transcriptase 0.0087 0.0347 0.0847
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0325 0.1937 1
Loa Loa (eye worm) translation initiation factor 4E 0.0447 0.2745 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0092 0.0384 0.0988
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0205 0.85
Echinococcus granulosus survival motor neuron protein 1 0.0254 0.1463 0.5107
Leishmania major eukaryotic translation initiation factor-like 0.0447 0.2745 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 0.0988
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0092 0.0384 0.0988
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0053 0.0125 0.0457
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0447 0.2745 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.039 0.1422
Loa Loa (eye worm) GTP-binding protein 0.015 0.0768 0.2799
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0092 0.0384 0.0988
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0092 0.0384 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0205 0.0205
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 0.0988
Echinococcus granulosus p2X purinoceptor 4 0.0281 0.164 0.578
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0205 0.0205
Leishmania major telomerase reverse transcriptase, putative 0.0087 0.0347 0.0847
Loa Loa (eye worm) hypothetical protein 0.0093 0.039 0.1422
Loa Loa (eye worm) hypothetical protein 0.005 0.0106 0.0387
Toxoplasma gondii RNA-directed DNA polymerase 0.0087 0.0347 0.0847
Schistosoma mansoni cell polarity protein 0.015 0.0768 0.0768
Brugia malayi hypothetical protein 0.0254 0.1463 0.533
Giardia lamblia Telomerase catalytic subunit 0.0087 0.0347 0.8574
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0092 0.0384 0.1399
Leishmania major xanthine phosphoribosyltransferase 0.0092 0.0384 0.0988
Onchocerca volvulus 0.0092 0.0384 0.1472
Giardia lamblia Guanine phosphoribosyltransferase 0.0092 0.0384 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0116 0.0422
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0092 0.0384 0.0704
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0447 0.2745 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0447 0.2745 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0087 0.0347 0.0847
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.039 0.1011
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0087 0.0347 0.0847
Brugia malayi GTP-binding protein 0.015 0.0768 0.2799
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 0.0384
Echinococcus multilocularis p2X purinoceptor 4 0.0281 0.164 0.5648
Echinococcus multilocularis p2X purinoceptor 4 0.0281 0.164 0.5648
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0092 0.0384 0.0988
Schistosoma mansoni P2X receptor subunit 0.0139 0.0697 0.0697
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0053 0.0125 0.0457
Schistosoma mansoni cell polarity protein 0.015 0.0768 0.0768
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0447 0.2745 1
Plasmodium falciparum telomerase reverse transcriptase 0.0087 0.0347 0.8574
Schistosoma mansoni hypothetical protein 0.0371 0.2244 0.2244

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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