Detailed information for compound 1303684

Basic information

Technical information
  • TDR Targets ID: 1303684
  • Name: 1-(3-chlorophenyl)-5-[(2-piperidin-1-ylethyla mino)methylidene]-1,3-diazinane-2,4,6-trione
  • MW: 376.837 | Formula: C18H21ClN4O3
  • H donors: 2 H acceptors: 3 LogP: 2.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1C(=O)NC(=O)/C(=C\NCCN2CCCCC2)/C1=O
  • InChi: 1S/C18H21ClN4O3/c19-13-5-4-6-14(11-13)23-17(25)15(16(24)21-18(23)26)12-20-7-10-22-8-2-1-3-9-22/h4-6,11-12,20H,1-3,7-10H2,(H,21,24,26)/b15-12+
  • InChiKey: JWBMMCZGTSWQDI-NTCAYCPXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-1-(3-chlorophenyl)-5-[(2-piperidin-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione
  • 1-(3-chlorophenyl)-5-[[2-(1-piperidyl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-(3-chlorophenyl)-5-[[2-(1-piperidyl)ethylamino]methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-(3-chlorophenyl)-5-[(2-piperidinoethylamino)methylene]barbituric acid
  • 1-(3-chlorophenyl)-5-[(2-piperidinoethylamino)methylene]barbituric acid
  • STOCK2S-48096
  • MLS000036798
  • SMR000057864

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus hormone sensitive lipase 0.0206 0.7873 0.779
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0709 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.6258 0.7845
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0709 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0709 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0709 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3123 0.3663
Schistosoma mansoni hypothetical protein 0.0205 0.7815 0.9923
Echinococcus granulosus geminin 0.0205 0.7815 0.7729
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.107 0.107
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0709 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0254 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0709 0.5
Loa Loa (eye worm) hypothetical protein 0.0206 0.7873 0.7873
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0709 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3123 0.3663
Loa Loa (eye worm) hypothetical protein 0.0152 0.5482 0.5482
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0709 1
Echinococcus multilocularis survival motor neuron protein 1 0.0254 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.3123 0.2854
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.3123 0.2854
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0206 0.7873 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0709 1
Trypanosoma brucei glucosidase, putative 0.0044 0.0709 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.9571 0.9571
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.3123 0.2854
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0206 0.7873 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.7467 0.7467
Schistosoma mansoni survival motor neuron protein 0.0052 0.107 0.0924
Echinococcus multilocularis hormone sensitive lipase 0.0206 0.7873 0.779
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0206 0.7873 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0709 0.0443
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.7467 0.7467
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0709 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0709 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.6258 0.7845
Schistosoma mansoni hypothetical protein 0.0205 0.7815 0.9923
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0709 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0709 0.0345
Brugia malayi follicle stimulating hormone receptor 0.0244 0.9571 0.9571
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.7467 0.7368
Brugia malayi hypothetical protein 0.0152 0.5482 0.5482
Onchocerca volvulus 0.0114 0.3805 0.6199
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0709 0.0345
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0709 0.0709
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0709 0.0709
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.7467 0.7368
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.3123 0.3123
Brugia malayi hypothetical protein 0.0036 0.0377 0.0377
Echinococcus multilocularis geminin 0.0205 0.7815 0.7729
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.7467 0.7368
Onchocerca volvulus 0.0152 0.5482 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0709 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0709 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.3123 0.2854
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.3123 0.3123
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0709 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.107 0.0924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3123 0.3663

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0052 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference

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.

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