Detailed information for compound 811870

Basic information

Technical information
  • TDR Targets ID: 811870
  • Name: N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfon ylamino]-3-phenylpropanamide
  • MW: 424.513 | Formula: C23H24N2O4S
  • H donors: 2 H acceptors: 3 LogP: 4.12 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=O)C(NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
  • InChi: 1S/C23H24N2O4S/c1-17-12-14-19(15-13-17)30(27,28)25-21(16-18-8-4-3-5-9-18)23(26)24-20-10-6-7-11-22(20)29-2/h3-15,21,25H,16H2,1-2H3,(H,24,26)
  • InChiKey: SZJCXWQSJQYYMO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
  • N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propionamide
  • 5915-09-3
  • CBMicro_021703
  • BIM-0021615.P001

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
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0466 0.0551 0.0279
Mycobacterium tuberculosis Possible oxidoreductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans oxidoreductase 0.0466 0.0551 0.0279
Onchocerca volvulus 0.0466 0.0551 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Leishmania major mitochondrial DNA polymerase beta 0.0535 0.0652 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium tuberculosis Probable oxidoreductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.6883 1 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.6883 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0466 0.0551 0.8451
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0466 0.0551 0.7563
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Loa Loa (eye worm) oxidoreductase 0.0466 0.0551 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0466 0.0551 0.0279
Plasmodium falciparum enoyl-acyl carrier reductase 0.6883 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.6883 1 1
Trichomonas vaginalis hypothetical protein 0.6883 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0535 0.0652 1
Schistosoma mansoni microtubule-associated protein tau 0.0611 0.0765 1
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0466 0.0551 0.0279
Onchocerca volvulus 0.0466 0.0551 0.5
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0466 0.0551 0.0279
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Loa Loa (eye worm) retinol dehydrogenase 12 0.0466 0.0551 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.6883 1 1
Leishmania major pteridine reductase 1 0.0466 0.0551 0.7563
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0466 0.0551 0.0279
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0466 0.0551 0.7563
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0535 0.0652 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Leishmania major oxidoreductase-like protein 0.0466 0.0551 0.7563
Trypanosoma brucei pteridine reductase 1 0.0466 0.0551 0.7563
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0535 0.0652 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.6883 1 1
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0466 0.0551 0.0279
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0253 0.0238 0.3643
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0466 0.0551 0.7563
Plasmodium vivax enoyl-acyl carrier protein reductase 0.6883 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0466 0.0551 0.0279
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0466 0.0551 0.8451
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0466 0.0551 0.8451
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Loa Loa (eye worm) hypothetical protein 0.0466 0.0551 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0466 0.0551 0.0279
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0466 0.0551 0.5
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0466 0.0551 0.7563
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0466 0.0551 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0611 0.0765 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0466 0.0551 0.0279
Mycobacterium ulcerans short chain dehydrogenase 0.0466 0.0551 0.0279
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0466 0.0551 0.5
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0466 0.0551 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0466 0.0551 0.7563
Echinococcus granulosus microtubule associated protein 2 0.0611 0.0765 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.