Detailed information for compound 648191

Basic information

Technical information
  • TDR Targets ID: 648191
  • Name: (5E)-1-(4-bromophenyl)-5-[(5-piperidin-1-ylfu ran-2-yl)methylidene]-1,3-diazinane-2,4,6-tri one
  • MW: 444.279 | Formula: C20H18BrN3O4
  • H donors: 1 H acceptors: 3 LogP: 3.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)N2CCCCC2)C1=O
  • InChi: 1S/C20H18BrN3O4/c21-13-4-6-14(7-5-13)24-19(26)16(18(25)22-20(24)27)12-15-8-9-17(28-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,25,27)/b16-12+
  • InChiKey: UAOWGGVBPRFYLU-FOWTUZBSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-bromophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
  • (5E)-1-(4-bromophenyl)-5-[[5-(1-piperidyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione
  • 1-(4-bromophenyl)-5-[[5-(1-piperidyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-(4-bromophenyl)-5-[(5-piperidino-2-furyl)methylene]barbituric acid
  • 1-(4-bromophenyl)-5-[(5-piperidino-2-furyl)methylene]barbituric acid
  • ZINC01176837
  • STK170726

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 GTP binding nuclear protein Ran 0.0021 0.0422 0.0391
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.061 0.0727
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.061 0.0727
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0617
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0321 0.7974 0.7968
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Onchocerca volvulus 0.0028 0.0608 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.7501 0.9403
Echinococcus granulosus importin subunit beta 1 0.0028 0.061 0.0579
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0422 0.6744
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.015 0.3687 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0321 0.7974 0.7968
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0321 0.7974 1
Echinococcus granulosus Protein patched homolog 1 0.0132 0.3223 0.3201
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0132 0.3223 0.4017
Echinococcus granulosus snurportin 1 0.0302 0.7501 0.7492
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0476 0.1212
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.0071
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0422 0.049
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0321 0.7974 0.7974
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0422 0.049
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0617
Brugia malayi CHE-14 protein 0.0132 0.3223 0.4017
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Schistosoma mansoni importin-beta 2 0.0005 0.0033 0.0033
Leishmania major GTP-binding protein, putative 0.0021 0.0422 0.049
Echinococcus granulosus sterol regulatory element binding protein 0.0132 0.3223 0.3201
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.015 0.3687 1
Trichomonas vaginalis helicase, putative 0.0006 0.0059 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.3223 0.873
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0476 0.1212
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.0071
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.061 0.4776
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0118 0.0107
Schistosoma mansoni ran 0.0021 0.0422 0.0422
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0074 0.0042
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0422 0.6744
Echinococcus multilocularis snurportin 1 0.0302 0.7501 0.7492
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0085
Plasmodium vivax importin-beta 2, putative 0.0028 0.061 1
Echinococcus granulosus Niemann Pick C1 protein 0.0132 0.3223 0.3201
Schistosoma mansoni cpg binding protein 0.0028 0.0608 0.0608
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1242 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0042
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Entamoeba histolytica hypothetical protein 0.0023 0.0476 1
Plasmodium falciparum importin beta, putative 0.0028 0.061 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0321 0.7974 1
Echinococcus multilocularis dnaJ subfamily B 0.0401 1 1
Brugia malayi RNA, U transporter 1 0.008 0.1923 0.238
Schistosoma mansoni hypothetical protein 0.0105 0.2533 0.2533
Brugia malayi Importin beta-1 subunit 0.0028 0.061 0.0727
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0422 0.3221
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0422 0.0391
Loa Loa (eye worm) hypothetical protein 0.0132 0.3223 0.4017
Schistosoma mansoni hypothetical protein 0.0302 0.7501 0.7501
Loa Loa (eye worm) hypothetical protein 0.0028 0.061 0.0727
Trypanosoma brucei RNA helicase, putative 0.0105 0.2533 0.3148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Echinococcus multilocularis Niemann Pick C1 protein 0.0132 0.3223 0.3201
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0321 0.7974 1
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0476 0.0071
Schistosoma mansoni hypothetical protein 0.0401 1 1
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0321 0.7974 1
Trichomonas vaginalis ran, putative 0.0021 0.0422 0.1066
Echinococcus multilocularis protein dispatched 1 0.0132 0.3223 0.3201
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1403 0.1403
Loa Loa (eye worm) hypothetical protein 0.0321 0.7974 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0422 0.8795
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0132 0.3223 0.3223
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Brugia malayi CXXC zinc finger family protein 0.0028 0.0608 0.0724
Schistosoma mansoni importin beta-1 0.0028 0.061 0.061
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.015 0.3687 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.061 0.0579
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0321 0.7974 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Echinococcus multilocularis sterol regulatory element binding protein 0.0132 0.3223 0.3201
Leishmania major importin beta-1 subunit, putative 0.0023 0.0476 0.0558
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.015 0.3687 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0074 0.0042
Schistosoma mansoni patched 1 0.0132 0.3223 0.3223
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0074 0.0042
Schistosoma mansoni ran 0.0021 0.0422 0.0422
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0422 0.049
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.0071
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0321 0.7974 0.5
Echinococcus multilocularis protein patched 0.0132 0.3223 0.3201
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.0071
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0608 0.0724
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0476 0.1212
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0115 0.0103

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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