Detailed information for compound 873789

Basic information

Technical information
  • TDR Targets ID: 873789
  • Name: 2-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)-N- (3-methoxyphenyl)acetamide
  • MW: 311.335 | Formula: C17H17N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)Cn1c(C)cc(c(c1=O)C#N)C
  • InChi: 1S/C17H17N3O3/c1-11-7-12(2)20(17(22)15(11)9-18)10-16(21)19-13-5-4-6-14(8-13)23-3/h4-8H,10H2,1-3H3,(H,19,21)
  • InChiKey: YSAZEMNUFDQYFO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)-N-(3-methoxyphenyl)acetamide
  • 2-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)-N-(3-methoxyphenyl)acetamide
  • 2-(3-cyano-4,6-dimethyl-2-oxo-pyridin-1-yl)-N-(3-methoxyphenyl)ethanamide
  • ChemDiv3_013204
  • ZINC03029860

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 Putative ferredoxin reductase 0.0231 0.5717 0.4698
Loa Loa (eye worm) thioredoxin reductase 0.0101 0.1923 0.31
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0378 1 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0248 0.6203 1
Trypanosoma cruzi trypanothione reductase, putative 0.0101 0.1923 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0378 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0257 0.6471 0.5631
Brugia malayi glutathione reductase 0.0101 0.1923 0.31
Echinococcus multilocularis geminin 0.0202 0.4858 1
Echinococcus granulosus geminin 0.0202 0.4858 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0102 0.1941 0.3995
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0257 0.6471 1
Leishmania major trypanothione reductase 0.0101 0.1923 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0231 0.5717 0.4698
Plasmodium vivax glutathione reductase, putative 0.0101 0.1923 0.1923
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0395 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0378 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0231 0.5717 0.4698
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0395 0.5
Brugia malayi Thioredoxin reductase 0.0101 0.1923 0.31
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0395 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0231 0.5717 0.4698
Toxoplasma gondii thioredoxin reductase 0.0101 0.1923 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0378 1 1
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0395 0.5
Trypanosoma brucei trypanothione reductase 0.0101 0.1923 0.5
Onchocerca volvulus 0.0282 0.7204 1
Brugia malayi Pre-SET motif family protein 0.0248 0.6203 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0378 1 0.5
Schistosoma mansoni hypothetical protein 0.0202 0.4858 0.5766
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0378 1 0.5
Trichomonas vaginalis set domain proteins, putative 0.0282 0.7204 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0101 0.1923 0.1923
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0231 0.5717 0.4698
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0395 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0257 0.6471 0.5631
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0257 0.6471 0.5631
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0378 1 0.5
Mycobacterium tuberculosis Probable reductase 0.0231 0.5717 0.4698
Schistosoma mansoni hypothetical protein 0.0202 0.4858 0.5766
Loa Loa (eye worm) glutathione reductase 0.0101 0.1923 0.31
Echinococcus granulosus thioredoxin glutathione reductase 0.0102 0.1941 0.3995

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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