Detailed information for compound 1427487

Basic information

Technical information
  • TDR Targets ID: 1427487
  • Name: (5Z)-5-[[(4-diethylaminophenyl)amino]methylid ene]-1-phenyl-1,3-diazinane-2,4,6-trione
  • MW: 378.424 | Formula: C21H22N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1)CC
  • InChi: 1S/C21H22N4O3/c1-3-24(4-2)16-12-10-15(11-13-16)22-14-18-19(26)23-21(28)25(20(18)27)17-8-6-5-7-9-17/h5-14,22H,3-4H2,1-2H3,(H,23,26,28)/b18-14-
  • InChiKey: AMJBIUKXOQTZER-JXAWBTAJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[[(4-diethylaminophenyl)amino]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
  • (5Z)-5-[[(4-diethylaminophenyl)amino]methylene]-1-phenylhexahydropyrimidine-2,4,6-trione
  • (5Z)-5-[[(4-diethylaminophenyl)amino]methylene]-1-phenyl-barbituric acid
  • STOCK2S-28434
  • 5-[1-(4-Diethylamino-phenylamino)-meth-(Z)-ylidene]-1-phenyl-pyrimidine-2,4,6-trione
  • MLS000769436
  • SMR000434158

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 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
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus 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
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans hypothetical protein 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
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni alpha-glucosidase 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
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Brugia malayi acetyltransferase, GNAT family protein 0.0178 0.8487 0.8839
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.2439 0.2439
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.9554 1
Echinococcus multilocularis muscleblind protein 0.018 0.8628 0.8628
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.2439 0.2439
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.1494 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.2569 0.2569
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.1494 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.2742 0.2742
Loa Loa (eye worm) hypothetical protein 0.0085 0.3253 0.2727
Schistosoma mansoni alpha-glucosidase 0.0169 0.8003 0.8003
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.089 0.089
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0875 0.0875
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.2569 0.2569
Brugia malayi Bromodomain containing protein 0.0051 0.128 0.0996
Onchocerca volvulus 0.0114 0.4859 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.1494 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.109 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.1494 0.1494
Loa Loa (eye worm) hypothetical protein 0.018 0.8628 0.8932
Loa Loa (eye worm) acetyltransferase 0.0178 0.8487 0.8768
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.2439 0.2439
Loa Loa (eye worm) hypothetical protein 0.0056 0.1577 0.0792
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0875 0.0875
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.089 0.089
Trypanosoma brucei glucosidase, putative 0.0044 0.089 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.8047 0.8047
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.089 0.5
Schistosoma mansoni jumonji domain containing protein 0.0071 0.2439 0.2439
Brugia malayi Muscleblind-like protein 0.018 0.8628 0.8993
Schistosoma mansoni hypothetical protein 0.0205 1 1
Brugia malayi Bromodomain containing protein 0.0095 0.3788 0.3725
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.1494 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.089 0.5
Schistosoma mansoni bromodomain containing protein 0.0081 0.2987 0.2987
Schistosoma mansoni alpha-glucosidase 0.0169 0.8003 0.8003
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9554 0.9554
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.1494 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2569 0.1938
Echinococcus granulosus muscleblind protein 0.018 0.8628 0.8628
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.2742 0.2742
Echinococcus multilocularis muscleblind protein 1 0.018 0.8628 0.8628
Echinococcus multilocularis geminin 0.0205 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.089 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.9554 0.9554
Loa Loa (eye worm) hypothetical protein 0.018 0.8628 0.8932
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.109 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.9554 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1446 0.0642
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.089 0.0572
Brugia malayi jmjC domain containing protein 0.0071 0.2439 0.2257
Schistosoma mansoni alpha glucosidase 0.0044 0.089 0.089
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.109 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.9554 0.9554
Brugia malayi jmjC domain containing protein 0.0073 0.2569 0.2399
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0178 0.8487 0.8487
Loa Loa (eye worm) hypothetical protein 0.0046 0.1042 0.0175
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0178 0.8487 0.8487
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.2569 0.2569

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.0037 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.5174 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) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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