Detailed information for compound 115051

Basic information

Technical information
  • TDR Targets ID: 115051
  • Name: N-[1-methyl-3-oxo-2-(2-phenylacetyl)pyrazolid in-4-yl]-2-phenylacetamide
  • MW: 351.399 | Formula: C20H21N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CN(N(C1=O)C(=O)Cc1ccccc1)C)Cc1ccccc1
  • InChi: 1S/C20H21N3O3/c1-22-14-17(21-18(24)12-15-8-4-2-5-9-15)20(26)23(22)19(25)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,21,24)
  • InChiKey: JRJULRUQWDYQIP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-methyl-3-oxo-2-(2-phenylacetyl)pyrazolidin-4-yl]-2-phenyl-acetamide
  • N-[1-methyl-3-oxo-2-(1-oxo-2-phenylethyl)-4-pyrazolidinyl]-2-phenylacetamide
  • N-[1-methyl-3-oxo-2-(2-phenylethanoyl)pyrazolidin-4-yl]-2-phenyl-ethanamide
  • N-[3-keto-1-methyl-2-(2-phenylacetyl)pyrazolidin-4-yl]-2-phenyl-acetamide

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
Trypanosoma brucei proteasome beta 6 subunit 0.0188 0.0457 0.0457
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0662 1 0.5
Loa Loa (eye worm) proteasome subunit beta type 1 0.0188 0.0457 0.0457
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0188 0.0457 0.0457
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0662 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0662 1 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0188 0.0457 0.0457
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0188 0.0457 0.0457
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0188 0.0457 0.0457
Echinococcus multilocularis proteasome (prosome, macropain) 0.0662 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0662 1 1
Mycobacterium ulcerans proteasome PrcB 0.0662 1 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0662 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0188 0.0457 0.0457
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0662 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0662 1 0.5
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0662 1 1
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0613 0.9015 0.8968
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0662 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0662 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0188 0.0457 0.0457
Plasmodium vivax proteasome subunit beta type-1, putative 0.0188 0.0457 0.0457
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0662 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0188 0.0457 0.0457
Echinococcus granulosus proteasome prosome macropain 0.0662 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0662 1 1
Echinococcus multilocularis proteasome subunit beta type 7 0.0613 0.9015 0.8968
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0188 0.0457 0.0457
Brugia malayi Proteasome A-type and B-type family protein 0.0613 0.9015 0.8968
Echinococcus granulosus proteasome subunit beta type 7 0.0613 0.9015 0.8968
Plasmodium falciparum proteasome subunit beta type-5 0.0662 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0662 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) In vitro antibacterial activity against Escherichia coli; Active ChEMBL. 10465546
Activity (functional) 0 Compound was tested by in vitro qualitative microbiological testings with cephalothin against Staphylococcus aureus; positive synergy test ChEMBL. 10465546
Activity (functional) 0 In vitro antibacterial activity against Escherichia coli; Active ChEMBL. 10465546
MIC (functional) = 128 ug ml-1 Antibacterial activity against Micrococcus luteus; 128 to 512 ug/mL ChEMBL. 10465546
MIC (functional) = 128 ug ml-1 Antibacterial activity against Staphylococcus aureus; 128 to 512 ug/mL ChEMBL. 10465546

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.

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