Detailed information for compound 829251

Basic information

Technical information
  • TDR Targets ID: 829251
  • Name: 5-chloro-N-(4-methoxyphenyl)-2-[(2-methylphen yl)methylsulfonyl]pyrimidine-4-carboxamide
  • MW: 431.893 | Formula: C20H18ClN3O4S
  • H donors: 1 H acceptors: 5 LogP: 3.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1C
  • InChi: 1S/C20H18ClN3O4S/c1-13-5-3-4-6-14(13)12-29(26,27)20-22-11-17(21)18(24-20)19(25)23-15-7-9-16(28-2)10-8-15/h3-11H,12H2,1-2H3,(H,23,25)
  • InChiKey: VYZSBNGNDYTBIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide
  • 5-chloro-N-(4-methoxyphenyl)-2-(2-methylbenzyl)sulfonyl-pyrimidine-4-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 solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0202 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0202 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Loa Loa (eye worm) sugar transporter 0.0108 0.5174 0.5174
Schistosoma mansoni glucose transport protein 0.0108 0.5174 0.5174
Trypanosoma cruzi hexose transporter 0.0034 0.0202 0.5
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0202 0.0391
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.018 1 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0202 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0202 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Onchocerca volvulus 0.003 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.5174 1
Echinococcus multilocularis carboxylesterase 5A 0.018 1 1
Schistosoma mansoni hypothetical protein 0.0108 0.5174 0.5174
Echinococcus granulosus acetylcholinesterase 0.018 1 1
Brugia malayi Sugar transporter family protein 0.0108 0.5174 0.5174
Leishmania major glucose transporter, lmgt1 0.0034 0.0202 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0202 0.0391
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Onchocerca volvulus 0.003 0 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0202 0.5
Plasmodium falciparum hexose transporter 0.0108 0.5174 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0202 0.0391
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.003 0 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0108 0.5174 0.5174
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0202 0.0391
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0202 0.0391
Onchocerca volvulus 0.003 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Loa Loa (eye worm) carboxylesterase 0.018 1 1
Brugia malayi Carboxylesterase family protein 0.018 1 1
Leishmania major glucose transporter, lmgt3 0.0034 0.0202 0.5
Echinococcus granulosus acetylcholinesterase 0.018 1 1
Onchocerca volvulus 0.003 0 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0108 0.5174 0.5
Trypanosoma brucei glucose transporter 1E 0.0034 0.0202 0.5
Trypanosoma brucei glucose transporter 2A 0.0034 0.0202 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0202 0.0391
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0202 0.0391
Echinococcus multilocularis General substrate transporter 0.0093 0.4161 0.4161
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0202 0.5
Leishmania major glucose transporter, lmgt2 0.0034 0.0202 0.5
Echinococcus granulosus carboxylesterase 5A 0.018 1 1
Echinococcus multilocularis acetylcholinesterase 0.018 1 1
Schistosoma mansoni glucose transport protein 0.0108 0.5174 0.5174
Mycobacterium tuberculosis Carboxylesterase LipT 0.003 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.003 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.018 1 1
Plasmodium vivax hexose transporter 0.0108 0.5174 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0202 0.5
Onchocerca volvulus 0.003 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.018 1 1
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0202 0.5
Echinococcus granulosus General substrate transporter 0.0093 0.4161 0.4161
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.5174 0.5174
Schistosoma mansoni glucose transport protein 0.0108 0.5174 0.5174

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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