Detailed information for compound 1721759

Basic information

Technical information
  • TDR Targets ID: 1721759
  • Name: 3-(3-methylbutanoylamino)-N-(4-methylpyridin- 2-yl)benzamide
  • MW: 311.378 | Formula: C18H21N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)Nc1cccc(c1)C(=O)Nc1nccc(c1)C)C
  • InChi: 1S/C18H21N3O2/c1-12(2)9-17(22)20-15-6-4-5-14(11-15)18(23)21-16-10-13(3)7-8-19-16/h4-8,10-12H,9H2,1-3H3,(H,20,22)(H,19,21,23)
  • InChiKey: OKIGKYBEGHFKNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3-methylbutanoylamino)-N-(4-methyl-2-pyridyl)benzamide
  • 3-[(3-methyl-1-oxobutyl)amino]-N-(4-methyl-2-pyridyl)benzamide
  • 3-(isovalerylamino)-N-(4-methyl-2-pyridyl)benzamide
  • ZINC01006516
  • AN-652/43161750

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 multilocularis carboxylesterase 5A 0.1624 1 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.009 0.0283 0.0158
Schistosoma mansoni acetylcholinesterase 0.0274 0.145 0.145
Onchocerca volvulus 0.0274 0.145 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.009 0.0283 0.0158
Echinococcus granulosus puromycin sensitive aminopeptidase 0.009 0.0283 0.0129
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0274 0.145 0.5
Brugia malayi Peptidase family M1 containing protein 0.009 0.0283 0.0129
Echinococcus granulosus neuroligin 0.0274 0.145 0.1315
Brugia malayi Carboxylesterase family protein 0.1624 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.145 0.145
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.009 0.0283 0.0158
Echinococcus granulosus puromycin sensitive aminopeptidase 0.009 0.0283 0.0129
Loa Loa (eye worm) carboxylesterase 0.0274 0.145 0.145
Loa Loa (eye worm) hypothetical protein 0.1624 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.009 0.0283 0.0158
Echinococcus granulosus acetylcholinesterase 0.1624 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.007 0.0156 0.0156
Schistosoma mansoni BC026374 protein (S09 family) 0.0274 0.145 0.145
Mycobacterium tuberculosis Carboxylesterase LipT 0.0274 0.145 0.5
Loa Loa (eye worm) carboxylesterase 0.0274 0.145 0.145
Echinococcus multilocularis aminopeptidase N 0.007 0.0156 0.0029
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.009 0.0283 0.0158
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0274 0.145 0.5
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Loa Loa (eye worm) acetylcholinesterase 1 0.1624 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0274 0.145 0.1315
Brugia malayi Carboxylesterase family protein 0.0274 0.145 0.1315
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.009 0.0283 0.0283
Echinococcus multilocularis neuroligin 0.0274 0.145 0.134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.145 0.145
Echinococcus multilocularis BC026374 protein (S09 family) 0.0274 0.145 0.134
Onchocerca volvulus 0.0274 0.145 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.009 0.0283 0.0129
Brugia malayi Carboxylesterase family protein 0.0274 0.145 0.1315
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.009 0.0283 1
Brugia malayi Carboxylesterase family protein 0.0274 0.145 0.1315
Schistosoma mansoni gliotactin 0.0274 0.145 0.145
Echinococcus granulosus carboxylesterase 5A 0.1624 1 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Loa Loa (eye worm) aminopeptidase N 0.009 0.0283 0.0283
Brugia malayi Carboxylesterase family protein 0.0274 0.145 0.1315
Schistosoma mansoni neuroligin 3 (S09 family) 0.0274 0.145 0.145
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.009 0.0283 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0274 0.145 1
Loa Loa (eye worm) carboxylesterase 0.1624 1 1
Echinococcus granulosus acetylcholinesterase 0.1624 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.009 0.0283 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1624 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0274 0.145 0.134
Echinococcus granulosus puromycin sensitive aminopeptidase 0.009 0.0283 0.0129
Echinococcus multilocularis acetylcholinesterase 0.1624 1 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.007 0.0156 0.5508
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Loa Loa (eye worm) hypothetical protein 0.1624 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.145 0.145
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0274 0.145 0.1315
Onchocerca volvulus 0.0274 0.145 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0274 0.145 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0274 0.145 1
Entamoeba histolytica aminopeptidase, putative 0.009 0.0283 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.009 0.0283 0.0158
Onchocerca volvulus 0.0274 0.145 1
Trypanosoma cruzi aminopeptidase, putative 0.009 0.0283 1
Brugia malayi hypothetical protein 0.0274 0.145 0.1315
Echinococcus multilocularis acetylcholinesterase 0.1624 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0274 0.145 0.134
Loa Loa (eye worm) hypothetical protein 0.0274 0.145 0.145
Echinococcus granulosus para nitrobenzyl esterase 0.0274 0.145 0.1315
Onchocerca volvulus 0.0274 0.145 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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