Detailed information for compound 781657

Basic information

Technical information
  • TDR Targets ID: 781657
  • Name: 4-methyl-N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(t rifluoromethyl)imidazol-4-yl]benzamide
  • MW: 401.382 | Formula: C21H18F3N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN1C(=NC(C1=O)(NC(=O)c1ccc(cc1)C)C(F)(F)F)c1ccccc1
  • InChi: 1S/C21H18F3N3O2/c1-3-13-27-17(15-7-5-4-6-8-15)25-20(19(27)29,21(22,23)24)26-18(28)16-11-9-14(2)10-12-16/h3-12H,1,13H2,2H3,(H,26,28)
  • InChiKey: JAWLGPNTMAOTRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-allyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methyl-benzamide
  • N-[1-allyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4-imidazolyl]-4-methylbenzamide
  • N-[1-allyl-5-keto-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-methyl-benzamide
  • A4206/0179029

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
Schistosoma mansoni ferritin 0.0008 0.0181 0.0181
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0181 0.5
Loa Loa (eye worm) acetyltransferase 0.0145 1 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0788 0.0825
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.1279 0.1279
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0788 0.0788
Brugia malayi Bromodomain containing protein 0.0041 0.2541 0.2541
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0282 0.0282
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.1279 0.4629
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.1073 0.3834
Brugia malayi PHD-finger family protein 0.0028 0.1594 0.1594
Schistosoma mansoni apoferritin-2 0.0008 0.0181 0.0181
Echinococcus multilocularis expressed protein 0.0008 0.0181 0.0181
Trypanosoma cruzi ISWI complex protein 0.0015 0.0663 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.2123 0.2123
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1279 0.4629
Schistosoma mansoni ferritin 0.0008 0.0181 0.0181
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0282 0.0296
Loa Loa (eye worm) hypothetical protein 0.0038 0.2295 0.2295
Schistosoma mansoni apoferritin-2 0.0008 0.0181 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0788 0.0788
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0282 0.0282
Trypanosoma brucei ISWI complex protein 0.0015 0.0663 1
Entamoeba histolytica hypothetical protein 0.0035 0.2126 0.8821
Schistosoma mansoni ferritin light chain 0.0008 0.0181 0.0181
Schistosoma mansoni bromodomain containing protein 0.0066 0.4308 0.4308
Loa Loa (eye worm) PHD-finger family protein 0.002 0.1041 0.1041
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2126 0.2126
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0.0181 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.4055 0.4248
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.1176 0.1176
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.9545 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0015 0.0663 0.0663
Echinococcus multilocularis zinc finger protein 0.0023 0.1217 0.1217
Echinococcus multilocularis ferritin 0.0008 0.0181 0.0181
Schistosoma mansoni ferritin light chain 0.0008 0.0181 0.0181
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0282 0.1204
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0181 0.5
Echinococcus granulosus zinc finger protein 0.0023 0.1217 0.1275
Entamoeba histolytica hypothetical protein 0.0035 0.2126 0.8821
Schistosoma mansoni zinc finger protein 0.0015 0.0663 0.0663
Schistosoma mansoni ferritin 0.0008 0.0181 0.0181
Trichomonas vaginalis ferritin, putative 0.0008 0.0181 0.0655
Echinococcus granulosus expressed protein 0.0008 0.0181 0.019
Echinococcus granulosus ferritin 0.0008 0.0181 0.019
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0282 0.0282
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0788 0.0788
Echinococcus granulosus bloom syndrome protein 0.0024 0.1279 0.134
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0788 0.0788
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0488 0.1768
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0282 0.0282
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.4055 0.4055
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 1 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0663 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.1279 0.1279
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0006 0.0036 0.0131
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.2345 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0181 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2763 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2763 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0716 0.259
Schistosoma mansoni DNA helicase recq1 0.001 0.0282 0.0282
Schistosoma mansoni DNA helicase recq5 0.001 0.0282 0.0282
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0788 0.0788
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0922 0.0922
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.1176 0.1176
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.2123 0.2224
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2763 0.2895
Loa Loa (eye worm) hypothetical protein 0.0119 0.8128 0.8128
Echinococcus multilocularis bloom syndrome protein 0.0024 0.1279 0.1279
Brugia malayi hypothetical protein 0.0035 0.2126 0.2126
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2763 1
Schistosoma mansoni zinc finger protein 0.0023 0.1217 0.1217
Entamoeba histolytica hypothetical protein 0.0035 0.2126 0.8821
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2126 0.2126
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0282 0.0282
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2763 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2126 0.2227
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0282 0.0296
Loa Loa (eye worm) hypothetical protein 0.0008 0.0135 0.0135
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.1176 0.1232
Schistosoma mansoni bromodomain containing protein 0.0008 0.0135 0.0135
Leishmania major hypothetical protein, conserved 0.0015 0.0663 1
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0181 0.5
Schistosoma mansoni ferritin 0.0008 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0044 0.2714 0.2714
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2763 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0788 0.0825
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 1 1
Schistosoma mansoni hypothetical protein 0.002 0.1041 0.1041
Loa Loa (eye worm) hypothetical protein 0.0017 0.0788 0.0788
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0282 0.1021
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0181 0.5
Brugia malayi Bromodomain containing protein 0.0077 0.5137 0.5137
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0181 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.1082 0.1082
Schistosoma mansoni hypothetical protein 0.0035 0.2126 0.2126
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0788 0.0788
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.2345 1
Entamoeba histolytica hypothetical protein 0.0035 0.2126 0.8821
Loa Loa (eye worm) hypothetical protein 0.0045 0.2849 0.2849
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0006 0.0036 0.0131
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.2345 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0282 0.1021
Loa Loa (eye worm) hypothetical protein 0.007 0.4583 0.4583

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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