Detailed information for compound 155254

Basic information

Technical information
  • TDR Targets ID: 155254
  • Name: N-(benzylcarbamoyl)acetamide
  • MW: 192.214 | Formula: C10H12N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=O)C)NCc1ccccc1
  • InChi: 1S/C10H12N2O2/c1-8(13)12-10(14)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,12,13,14)
  • InChiKey: VQVVFLUGTBLSSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(benzylamino)-oxomethyl]acetamide
  • N-(phenylmethylcarbamoyl)ethanamide
  • N-(phenylmethylcarbamoyl)acetamide
  • N-[oxo-(phenylmethylamino)methyl]acetamide
  • Maybridge4_003502
  • ZINC00088360
  • Oprea1_601786
  • N-Acetyl-N'-benzylurea
  • Urea, 1-acetyl-3-benzyl-

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
Plasmodium vivax ataxin-2 like protein, putative 0.011 0.0708 1
Echinococcus multilocularis GPCR, family 2 0.0185 0.2003 0.4459
Brugia malayi RNA binding protein 0.033 0.4492 0.4492
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0185 0.2003 0.2003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0185 0.2003 0.4459
Brugia malayi hypothetical protein 0.0168 0.1701 0.1701
Brugia malayi Latrophilin receptor protein 2 0.0185 0.2003 0.2003
Leishmania major hypothetical protein, conserved 0.011 0.0708 1
Schistosoma mansoni hypothetical protein 0.0185 0.2003 0.3516
Schistosoma mansoni tar DNA-binding protein 0.033 0.4492 0.7885
Schistosoma mansoni hypothetical protein 0.0185 0.2003 0.3516
Schistosoma mansoni tar DNA-binding protein 0.033 0.4492 0.7885
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0586 0.8879 0.8879
Brugia malayi Calcitonin receptor-like protein seb-1 0.0586 0.8879 0.8879
Schistosoma mansoni hypothetical protein 0.04 0.5697 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.1701 0.1701
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.033 0.4492 0.4492
Loa Loa (eye worm) MH2 domain-containing protein 0.0651 1 1
Onchocerca volvulus 0.0168 0.1701 0.5
Loa Loa (eye worm) RNA binding protein 0.033 0.4492 0.4492
Schistosoma mansoni hypothetical protein 0.0185 0.2003 0.3516
Schistosoma mansoni tar DNA-binding protein 0.033 0.4492 0.7885
Trypanosoma brucei PAB1-binding protein , putative 0.011 0.0708 1
Brugia malayi TAR-binding protein 0.033 0.4492 0.4492
Plasmodium falciparum ataxin-2 like protein, putative 0.011 0.0708 1
Loa Loa (eye worm) hypothetical protein 0.011 0.0708 0.0708
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0069 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0185 0.2003 0.4459
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0586 0.8879 0.8879
Brugia malayi hypothetical protein 0.011 0.0708 0.0708
Toxoplasma gondii LsmAD domain-containing protein 0.011 0.0708 1
Schistosoma mansoni tar DNA-binding protein 0.033 0.4492 0.7885
Loa Loa (eye worm) hypothetical protein 0.0586 0.8879 0.8879
Loa Loa (eye worm) transcription factor SMAD2 0.0651 1 1
Echinococcus granulosus tar DNA binding protein 0.033 0.4492 1
Echinococcus granulosus GPCR family 2 0.0185 0.2003 0.4459
Schistosoma mansoni tar DNA-binding protein 0.033 0.4492 0.7885
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0185 0.2003 0.4459
Trypanosoma cruzi PAB1-binding protein , putative 0.011 0.0708 1
Brugia malayi latrophilin 2 splice variant baaae 0.04 0.5697 0.5697
Brugia malayi RNA recognition motif domain containing protein 0.033 0.4492 0.4492
Trypanosoma cruzi PAB1-binding protein , putative 0.011 0.0708 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.2003 0.2003
Loa Loa (eye worm) latrophilin receptor protein 2 0.0185 0.2003 0.2003
Schistosoma mansoni hypothetical protein 0.0185 0.2003 0.3516
Echinococcus multilocularis tar DNA binding protein 0.033 0.4492 1
Brugia malayi hypothetical protein 0.0071 0.0039 0.0039
Loa Loa (eye worm) TAR-binding protein 0.033 0.4492 0.4492
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0185 0.2003 0.4459
Loa Loa (eye worm) hypothetical protein 0.04 0.5697 0.5697
Plasmodium falciparum ataxin-2 like protein, putative 0.011 0.0708 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 60.1 mg kg-1 In vivo anticonvulsant activity in male albino mice using the maximal electroshock seizure(MES) test upon intraperitoneal administration; value ranges from 51.9 to 68 ChEMBL. 12061883
ED50 (functional) = 60.1 mg kg-1 In vivo anticonvulsant activity in male albino mice using the maximal electroshock seizure(MES) test upon intraperitoneal administration; value ranges from 51.9 to 68 ChEMBL. 12061883
Fu (ADMET) = 77 % Fraction unbound in human plasma at 5 uM after 6 hrs by equilibrium dialysis method ChEMBL. 26967507
Log ED50 (functional) = 2.5 uM kg-1 In vivo anticonvulsant activity in male albino mice using the maximal electroshock seizure(MES) test upon intraperitoneal administration, expressed as logarithm of effective dose ChEMBL. 12061883
Log ED50 (functional) = 2.5 uM kg-1 In vivo anticonvulsant activity in male albino mice using the maximal electroshock seizure(MES) test upon intraperitoneal administration, expressed as logarithm of effective dose ChEMBL. 12061883

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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