Detailed information for compound 31317

Basic information

Technical information
  • TDR Targets ID: 31317
  • Name: N-phenethylimidazole-1-carboxamide
  • MW: 215.251 | Formula: C12H13N3O
  • H donors: 1 H acceptors: 2 LogP: 1.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1cncc1)NCCc1ccccc1
  • InChi: 1S/C12H13N3O/c16-12(15-9-8-13-10-15)14-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,16)
  • InChiKey: JSTAJYFVLYZJTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-phenethyl-1-imidazolecarboxamide
  • N-(2-phenylethyl)imidazole-1-carboxamide
  • N-(2-phenylethyl)-1-imidazolecarboxamide

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 NADPH dependent diflavin oxidoreductase 1 0.0178 1 1
Giardia lamblia Hypothetical protein 0.0158 0.8027 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.011 0.3362 0.3362
Echinococcus granulosus methionine synthase reductase 0.011 0.3362 0.3362
Leishmania major p450 reductase, putative 0.0178 1 1
Brugia malayi FAD binding domain containing protein 0.0178 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0178 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0178 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0178 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0076 0 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0089 0.1257 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0178 1 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0178 1 1
Onchocerca volvulus 0.0076 0 0.5
Onchocerca volvulus Peroxidase homolog 0.0076 0 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0158 0.8027 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0178 1 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0178 1 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0178 1 0.5
Toxoplasma gondii flavodoxin domain-containing protein 0.0089 0.1257 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0178 1 1
Echinococcus multilocularis methionine synthase reductase 0.011 0.3362 0.3362
Onchocerca volvulus Chorion peroxidase homolog 0.0076 0 0.5
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0178 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0178 1 0.5
Onchocerca volvulus 0.0076 0 0.5
Plasmodium falciparum nitric oxide synthase, putative 0.0178 1 0.5
Schistosoma mansoni cytochrome P450 reductase 0.0178 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.011 0.3362 0.3362
Onchocerca volvulus Peroxidasin homolog 0.0076 0 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0178 1 0.5
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0178 1 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0178 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.009 0.1389 0.1389
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0178 1 1
Brugia malayi FAD binding domain containing protein 0.011 0.3362 0.3362
Trypanosoma cruzi p450 reductase, putative 0.0178 1 0.5
Onchocerca volvulus Peroxidasin homolog 0.0076 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Chlamydia trachomatis sulfite reductase 0.011 0.3362 0.5
Onchocerca volvulus Dual oxidase homolog 0.0076 0 0.5
Schistosoma mansoni diflavin oxidoreductase 0.0089 0.1257 0.1257
Onchocerca volvulus 0.0076 0 0.5

Activities

Activity type Activity value Assay description Source Reference
K obs / 1 (binding) = 35 M-1 s-1 Inhibitory activity against human Leukocyte elastase ChEMBL. 3643283
K obs / 1 (binding) = 35 M-1 s-1 Inhibitory activity against human Leukocyte elastase ChEMBL. 3643283

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

1 literature reference was collected for this gene.

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