Detailed information for compound 1446007

Basic information

Technical information
  • TDR Targets ID: 1446007
  • Name: 6-amino-1,3-dimethyl-5-[4-(phenoxy)benzoyl]py rimidine-2,4-dione
  • MW: 351.356 | Formula: C19H17N3O4
  • H donors: 1 H acceptors: 3 LogP: 2.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(N)n(C)c(=O)n(c1=O)C)c1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C19H17N3O4/c1-21-17(20)15(18(24)22(2)19(21)25)16(23)12-8-10-14(11-9-12)26-13-6-4-3-5-7-13/h3-11H,20H2,1-2H3
  • InChiKey: WGFSGTIYLNGMJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-1,3-dimethyl-5-[oxo-[4-(phenoxy)phenyl]methyl]pyrimidine-2,4-dione
  • 6-amino-1,3-dimethyl-5-[4-(phenoxy)benzoyl]pyrimidine-2,4-quinone
  • 6-amino-1,3-dimethyl-5-[4-(phenoxy)phenyl]carbonyl-pyrimidine-2,4-dione
  • T0510-1761
  • MLS000391543
  • SMR000260578
  • ZINC03256465

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 granulosus Tubulin beta 2C chain 0.1187 1 1
Brugia malayi beta-tubulin, identical 0.1187 1 1
Schistosoma mansoni alpha tubulin 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Echinococcus multilocularis Tubulin beta 2C chain 0.1187 1 1
Echinococcus granulosus tubulin alpha chain 0.0636 0.3543 0.156
Echinococcus granulosus tubulin alpha 1C chain 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0404 0.0824 0.0824
Echinococcus multilocularis tubulin alpha chain 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Loa Loa (eye worm) alpha-tubulin 0.0636 0.3543 0.3543
Trypanosoma brucei beta tubulin 0.1187 1 1
Trypanosoma brucei beta tubulin 0.1187 1 1
Plasmodium vivax tubulin beta chain, putative 0.1187 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0636 0.3543 0.156
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0636 0.3543 0.156
Schistosoma mansoni tubulin subunit alpha 0.0636 0.3543 0.156
Echinococcus multilocularis Tubulin alpha 1 chain 0.0636 0.3543 0.156
Echinococcus multilocularis tubulin alpha chain 0.0636 0.3543 0.156
Echinococcus granulosus tubulin alpha chain 0.0636 0.3543 0.156
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Echinococcus granulosus tubulin subunit TubB 0.0636 0.3543 0.156
Echinococcus granulosus tubulin beta 4A class IVa 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Loa Loa (eye worm) tubulin beta chain 0.1187 1 1
Brugia malayi Tubulin alpha-2 chain 0.0636 0.3543 0.156
Plasmodium falciparum alpha tubulin 2 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Brugia malayi alpha-tubulin 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Loa Loa (eye worm) BEN-1 protein 0.1187 1 1
Echinococcus multilocularis tubulin subunit beta 0.1187 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1187 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.1187 1 1
Toxoplasma gondii beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1187 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.1187 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Loa Loa (eye worm) tubulin alpha chain 0.0636 0.3543 0.3543
Trypanosoma cruzi beta tubulin, putative 0.1187 1 1
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0404 0.0824 0.0824
Entamoeba histolytica tubulin family protein 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.1187 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0636 0.3543 0.156
Trypanosoma brucei beta tubulin 0.1187 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1187 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Trypanosoma brucei alpha tubulin 0.0636 0.3543 0.156
Trypanosoma brucei alpha tubulin 0.0636 0.3543 0.156
Echinococcus multilocularis Tubulin beta 2C chain 0.1187 1 1
Trypanosoma brucei beta tubulin 0.1187 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0636 0.3543 0.156
Echinococcus granulosus tubulin alpha 1C chain 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Giardia lamblia Alpha-tubulin 0.0636 0.3543 0.156
Echinococcus multilocularis tubulin alpha 1C chain 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Echinococcus granulosus Tubulin beta 2C chain 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin gamma chain, putative 0.1187 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.1187 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0636 0.3543 0.156
Plasmodium vivax tubulin alpha chain, putative 0.0636 0.3543 0.156
Loa Loa (eye worm) tubulin alpha 2 0.0404 0.0824 0.0824
Trichomonas vaginalis tubulin, putative 0.1187 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0636 0.3543 0.3543
Plasmodium falciparum alpha tubulin 1 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Brugia malayi Tubulin alpha-2 chain 0.0636 0.3543 0.156
Brugia malayi Tubulin alpha chain 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Leishmania major beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Echinococcus granulosus tubulin alpha chain 0.0636 0.3543 0.156
Echinococcus multilocularis tubulin alpha chain 0.0636 0.3543 0.156
Schistosoma mansoni alpha tubulin 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0404 0.0824 0.0824
Echinococcus granulosus beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0636 0.3543 0.156
Brugia malayi tubulin alpha chain - mouse 0.0636 0.3543 0.156
Toxoplasma gondii beta-1 tubulin, putative 0.1187 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0636 0.3543 0.3543
Loa Loa (eye worm) hypothetical protein 0.0636 0.3543 0.3543
Schistosoma mansoni alpha tubulin 0.0636 0.3543 0.156
Plasmodium falciparum tubulin beta chain 0.1187 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0534 0.2349 0.2349
Echinococcus granulosus tubulin beta 1 chain 0.1187 1 1
Trypanosoma brucei alpha tubulin 0.0636 0.3543 0.156
Trypanosoma cruzi alpha tubulin, putative 0.0636 0.3543 0.156
Echinococcus multilocularis tubulin beta 1 chain 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Schistosoma mansoni tubulin subunit alpha 0.0636 0.3543 0.156
Echinococcus granulosus tubulin alpha chain 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin epsilon chain, putative 0.0636 0.3543 0.3543
Echinococcus granulosus Tubulin beta 2C chain 0.1187 1 1
Echinococcus granulosus beta tubulin 0.1187 1 1
Leishmania major beta tubulin 0.1187 1 1
Echinococcus multilocularis tubulin alpha chain 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Echinococcus granulosus Tubulin beta 2C chain 0.1187 1 1
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Entamoeba histolytica tubulin alpha-1 chain 0.0636 0.3543 0.156
Giardia lamblia Beta tubulin 0.1187 1 1
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Echinococcus granulosus alpha tubulin 0.0636 0.3543 0.156
Giardia lamblia Alpha-tubulin 0.0636 0.3543 0.156
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.1187 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0534 0.2349 0.2349
Echinococcus multilocularis beta tubulin 0.1187 1 1
Echinococcus multilocularis beta tubulin 0.1187 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0404 0.0824 0.0824
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Loa Loa (eye worm) BEN-1 protein 0.1187 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0636 0.3543 0.3543
Loa Loa (eye worm) beta-tubulin 0.1187 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0636 0.3543 0.156
Entamoeba histolytica tubulin family protein 0.1187 1 1
Echinococcus multilocularis hypothetical protein 0.0636 0.3543 0.156
Echinococcus multilocularis peroxisome assembly protein 26 0.0636 0.3543 0.156
Giardia lamblia Beta tubulin 0.1187 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.1187 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0636 0.3543 0.3543
Leishmania major beta tubulin 0.1187 1 1
Trypanosoma brucei alpha tubulin 0.0636 0.3543 0.156
Loa Loa (eye worm) tubulin beta-1 chain 0.1187 1 1
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin gamma chain, putative 0.0534 0.2349 0.2349
Loa Loa (eye worm) tubulin gamma chain 0.0534 0.2349 0.2349
Trichomonas vaginalis tubulin alpha chain, putative 0.1187 1 1
Echinococcus granulosus tubulin subunit beta 0.1187 1 1
Echinococcus multilocularis tubulin alpha chain 0.0636 0.3543 0.156
Loa Loa (eye worm) alpha-tubulin 0.0636 0.3543 0.3543
Echinococcus multilocularis Tubulin beta 2C chain 0.1187 1 1
Toxoplasma gondii beta-tubulin, putative 0.1187 1 1
Echinococcus granulosus tubulin alpha chain 0.0636 0.3543 0.156
Echinococcus multilocularis tubulin subunit TubB 0.0636 0.3543 0.156
Brugia malayi tubulin alpha-2 chain 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Leishmania major alpha tubulin 0.0636 0.3543 0.156
Leishmania major beta tubulin 0.1187 1 1
Schistosoma mansoni tubulin subunit beta 0.1187 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0636 0.3543 0.156
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7563 0.6814
Giardia lamblia Beta tubulin 0.1187 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0636 0.3543 0.156
Trichomonas vaginalis tubulin beta chain, putative 0.0636 0.3543 0.3543
Echinococcus multilocularis tubulin alpha 3 chain 0.0636 0.3543 0.156
Schistosoma mansoni tubulin subunit alpha 0.0636 0.3543 0.156

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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