Detailed information for compound 820513

Basic information

Technical information
  • TDR Targets ID: 820513
  • Name: 2-[(4-methoxyphenyl)-methylsulfonylamino]-N-( 2-phenylethyl)acetamide
  • MW: 362.443 | Formula: C18H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)C)CC(=O)NCCc1ccccc1
  • InChi: 1S/C18H22N2O4S/c1-24-17-10-8-16(9-11-17)20(25(2,22)23)14-18(21)19-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,19,21)
  • InChiKey: UTIKLBJFKYOGTM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-(2-phenylethyl)acetamide
  • 2-[mesyl-(4-methoxyphenyl)amino]-N-(2-phenylethyl)acetamide
  • 2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-(2-phenylethyl)ethanamide
  • CBMicro_010806
  • 2-[Methanesulfonyl-(4-methoxy-phenyl)-amino]-N-phenethyl-acetamide
  • BAS 02194903
  • BIM-0010710.P001
  • ZINC04995667

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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0979 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0119 0.1052 0.0727
Brugia malayi Cytochrome P450 family protein 0.0029 0.0121 0.0121
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0119 0.1052 0.1052
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0119 0.1052 0.5
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0119 0.1052 0.1052
Loa Loa (eye worm) hypothetical protein 0.0119 0.1052 0.1052
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0119 0.1052 0.5
Entamoeba histolytica tartrate dehydrogenase, putative 0.0119 0.1052 0.5
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0119 0.1052 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0979 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0979 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0121 0.0121
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0979 1 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0979 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0979 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0119 0.1052 0.0727
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0119 0.1052 0.0727
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0119 0.1052 0.1052
Echinococcus multilocularis isocitrate dehydrogenase 0.0979 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0979 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0119 0.1052 0.0727
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0119 0.1052 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.035 0.035
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0119 0.1052 0.1052
Brugia malayi Probable isocitrate dehydrogenase 0.0119 0.1052 0.1052
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0979 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0119 0.1052 0.0727
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0979 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0979 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0119 0.1052 0.1052
Toxoplasma gondii isocitrate dehydrogenase 0.0979 1 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0979 1 1
Brugia malayi Isocitrate dehydrogenase 0.0979 1 1
Schistosoma mansoni unc-13 (munc13) 0.0119 0.1052 0.0727
Toxoplasma gondii isocitrate dehydrogenase 0.0979 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.035 0.035
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0979 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0979 1 1
Leishmania major isocitrate dehydrogenase, putative 0.0119 0.1052 0.1052
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0119 0.1052 0.0727
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0979 1 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0979 1 1

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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