Detailed information for compound 1440565

Basic information

Technical information
  • TDR Targets ID: 1440565
  • Name: N'-[[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazi nan-5-ylidene]methyl]pyridine-4-carbohydrazid e
  • MW: 379.369 | Formula: C19H17N5O4
  • H donors: 3 H acceptors: 5 LogP: 2.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O
  • InChi: 1S/C19H17N5O4/c1-2-12-3-5-14(6-4-12)24-18(27)15(17(26)22-19(24)28)11-21-23-16(25)13-7-9-20-10-8-13/h3-11,21H,2H2,1H3,(H,23,25)(H,22,26,28)/b15-11+
  • InChiKey: APLHOGLBGLIFLM-RVDMUPIBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyridine-4-carbohydrazide
  • N'-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]pyridine-4-carbohydrazide
  • N'-[[1-(4-ethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]pyridine-4-carbohydrazide
  • N'-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-4-pyridinecarbohydrazide
  • N'-[[1-(4-ethylphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-4-pyridinecarbohydrazide
  • N'-[(E)-[1-(4-ethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]isonicotinohydrazide
  • N'-[[1-(4-ethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]isonicotinohydrazide
  • STOCK2S-25259
  • Isonicotinic acid N'-[1-(4-ethyl-phenyl)-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
  • MLS000590529
  • SMR000217547
  • ZINC04837079

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dUTP diphosphatase 0.0538 0.5453 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8498 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0298 0.0326
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0298 0.0277
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0298 0.0326
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.065 0.0742
Plasmodium vivax SET domain protein, putative 0.0037 0.0298 0.0344
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0114 0.0109
Brugia malayi jmjC domain containing protein 0.0019 0.0114 0.0134
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0609 0.0927
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1897 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0538 0.5453 1
Entamoeba histolytica hypothetical protein 0.0538 0.5453 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0131
Loa Loa (eye worm) hypothetical protein 0.018 0.1776 0.3203
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0277 0.0301
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0538 0.5453 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3674 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1696 0.4444
Loa Loa (eye worm) hypothetical protein 0.0037 0.0298 0.0471
Toxoplasma gondii hypothetical protein 0.0059 0.0525 0.0769
Schistosoma mansoni cpg binding protein 0.0037 0.0296 0.0324
Schistosoma mansoni jumonji domain containing protein 0.0071 0.065 0.0742
Brugia malayi jmjC domain containing protein 0.0073 0.0671 0.1162
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5004 0.4993
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0298 0.0326
Schistosoma mansoni hypothetical protein 0.0494 0.5004 0.5878
Brugia malayi jmjC domain containing protein 0.0019 0.0114 0.0134
Onchocerca volvulus 0.0287 0.2872 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0538 0.5453 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1776 0.3203
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0538 0.5453 1
Brugia malayi Pre-SET motif family protein 0.0252 0.2514 0.4569
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0538 0.5453 0.5
Brugia malayi Pre-SET motif family protein 0.0037 0.0298 0.0473
Entamoeba histolytica hypothetical protein 0.0351 0.3532 0.4682
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0114 0.0093
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0538 0.5453 1
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0114 0.0109
Entamoeba histolytica hypothetical protein 0.0538 0.5453 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0114 0.0131
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0114 0.0109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0447 0.0935
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1696 0.4444
Echinococcus granulosus phd:f box containing protein 0.0019 0.0114 0.0109
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0671 0.0766
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0671 0.0766
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0538 0.5453 1
Schistosoma mansoni cpg binding protein 0.0037 0.0296 0.0324
Brugia malayi CXXC zinc finger family protein 0.0035 0.0276 0.0433
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.069 0.0789
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0114 0.0109
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8498 0.8495
Brugia malayi jmjC domain containing protein 0.0071 0.065 0.1124
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0538 0.5453 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0538 0.5453 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3674 1
Echinococcus granulosus cpg binding protein 0.0037 0.0296 0.0324
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0538 0.5453 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0131
Echinococcus multilocularis dUTP pyrophosphatase 0.0538 0.5453 0.5444
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5004 0.5878
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.065 0.063
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0538 0.5453 1
Mycobacterium ulcerans hypothetical protein 0.0192 0.1897 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.065 0.063
Echinococcus granulosus dUTP pyrophosphatase 0.0538 0.5453 0.6408
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0671 0.116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0114 0.0131
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0276 0.0431
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8498 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2514 0.4567
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0043 0.0026
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0114 0.0093
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0298 0.0277
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1696 0.4444
Brugia malayi jmjC domain containing protein 0.0019 0.0114 0.0134
Echinococcus granulosus muscleblind protein 0.018 0.1776 0.207
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0134 0.0113
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0447 0.0935
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0043 0.0022
Loa Loa (eye worm) dUTP diphosphatase 0.0538 0.5453 1
Brugia malayi jmjC domain containing protein 0.0019 0.0114 0.0134
Echinococcus multilocularis cpg binding protein 0.0037 0.0296 0.0276
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0114 0.0131
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0187 0.1841 0.5
Entamoeba histolytica hypothetical protein 0.0351 0.3532 0.4682
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0114 0.0093
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0298 0.0326
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0563 0.126
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0447 0.0935
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0671 0.0766
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3674 1
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0538 0.5453 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0114 0.0109
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0114 0.0109
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0114 0.0131
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2872 0.5266
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0538 0.5453 1
Echinococcus multilocularis muscleblind protein 0.018 0.1776 0.1758
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0538 0.5453 0.6408
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0447 0.0935
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3674 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1776 0.1758
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0114 0.0093
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0114 0.0109
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0134 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0298 0.0326
Brugia malayi Muscleblind-like protein 0.018 0.1776 0.3205
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0298 0.0344
Schistosoma mansoni cpg binding protein 0.0035 0.0276 0.03
Onchocerca volvulus 0.0037 0.0298 0.0084
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0114 0.0109

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.

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