Detailed information for compound 756514

Basic information

Technical information
  • TDR Targets ID: 756514
  • Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3- dimethyl-5-nitropyrimidine-2,4-dione
  • MW: 330.339 | Formula: C16H18N4O4
  • H donors: 0 H acceptors: 4 LogP: 1.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)/C=C/c1n(C)c(=O)n(c(=O)c1[N+](=O)[O-])C)C
  • InChi: 1S/C16H18N4O4/c1-17(2)12-8-5-11(6-9-12)7-10-13-14(20(23)24)15(21)19(4)16(22)18(13)3/h5-10H,1-4H3/b10-7+
  • InChiKey: FMSNSFZRTNIQNG-JXMROGBWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[2-(4-dimethylaminophenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
  • 6-[2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
  • 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
  • 6-[2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
  • 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitropyrimidine-2,4-dione
  • 6-[2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone
  • 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone
  • 6-[2-(4-dimethylaminophenyl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
  • 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3-dimethyl-5-nitro-pyrimidine-2,4-dione
  • EU-0076224

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
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
Loa Loa (eye worm) hypothetical protein 0.0027 0.0452 0.0452
Echinococcus multilocularis muscleblind protein 0.018 0.6138 0.6287
Schistosoma mansoni lamin 0.0027 0.0471 0.0263
Brugia malayi nuclear receptor NHR-88 0.002 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0471 0.0471
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.8443 0.8733
Leishmania major basic transcription factor 3a, putative 0.0042 0.1021 0.5
Onchocerca volvulus 0.0049 0.129 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1021 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 0.6138 0.6287
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0213 0.0213
Loa Loa (eye worm) glutaminase 2 0.0285 1 1
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.1021 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.1021 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0213 0.0213
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0471 0.0471
Schistosoma mansoni hypothetical protein 0.0049 0.129 0.11
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Onchocerca volvulus 0.0027 0.0471 0.2391
Schistosoma mansoni thyroid hormone receptor 0.0275 0.9636 0.9628
Brugia malayi Muscleblind-like protein 0.018 0.6138 0.6138
Loa Loa (eye worm) ICD-1 protein 0.0042 0.1021 0.1021
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Schistosoma mansoni thyroid hormone receptor 0.0275 0.9636 0.9628
Trichomonas vaginalis glutaminase, putative 0.0285 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0213 0.0213
Schistosoma mansoni glutaminase 0.0285 1 1
Echinococcus granulosus lamin 0.0027 0.0471 0.0297
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0213 0.0213
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.1021 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0471 0.0471
Brugia malayi hypothetical protein 0.0243 0.8443 0.8443
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0254 0.888 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0213 0.0213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0213 0.0213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0213 0.0213
Brugia malayi beta-NAC-like protein 0.0042 0.1021 0.1021
Brugia malayi intermediate filament protein 0.0027 0.0471 0.0471
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.018 0.6138 0.6138
Loa Loa (eye worm) glutaminase 0.0285 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0471 0.0471
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0213 0.0213
Onchocerca volvulus 0.0027 0.0471 0.2391
Schistosoma mansoni transcription factor btf3 0.0042 0.1021 0.0825
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0213 0.0213
Schistosoma mansoni survival motor neuron protein 0.0049 0.129 0.11
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.8443 0.9496
Schistosoma mansoni intermediate filament proteins 0.0027 0.0471 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0213 0.0213
Schistosoma mansoni lamin 0.0027 0.0471 0.0263
Echinococcus multilocularis lamin 0.0027 0.0471 0.0273
Echinococcus granulosus lamin dm0 0.0027 0.0471 0.0297
Brugia malayi nuclear hormone receptor 0.002 0.0213 0.0213
Entamoeba histolytica hypothetical protein 0.0042 0.1021 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0213 0.0213
Toxoplasma gondii NAC domain-containing protein 0.0042 0.1021 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.8443 0.8443
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0213 0.0213
Brugia malayi ecdysteroid receptor 0.002 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0213 0.0213
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0213 0.0213
Mycobacterium ulcerans glutaminase 0.0285 1 0.5
Echinococcus granulosus muscleblind protein 0.018 0.6138 0.6836
Echinococcus multilocularis thyroid hormone receptor alpha 0.0275 0.9636 1
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.1021 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.129 0.129
Loa Loa (eye worm) hypothetical protein 0.002 0.0213 0.0213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0213 0.0213
Echinococcus granulosus transcription factor btf3 0.0042 0.1021 0.0932
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.1021 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0213 0.0213
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0254 0.888 0.9197
Echinococcus multilocularis transcription factor btf3 0.0042 0.1021 0.0857
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0213 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0213 0.0213
Echinococcus multilocularis musashi 0.0027 0.0471 0.0273
Echinococcus granulosus intermediate filament protein 0.0027 0.0471 0.0297
Schistosoma mansoni hypothetical protein 0.0254 0.888 0.8855
Echinococcus multilocularis lamin dm0 0.0027 0.0471 0.0273
Loa Loa (eye worm) hypothetical protein 0.018 0.6138 0.6138
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0213 0.0213
Brugia malayi steroid hormone receptor 0.002 0.0213 0.0213

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 16.378 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (binding) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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) 39.8107 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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