Detailed information for compound 81864

Basic information

Technical information
  • TDR Targets ID: 81864
  • Name: 2-amino-6-(3,5-dimethoxyphenyl)-5-iodo-1H-pyr imidin-4-one
  • MW: 373.146 | Formula: C12H12IN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)c1nc(N)nc(c1I)O
  • InChi: 1S/C12H12IN3O3/c1-18-7-3-6(4-8(5-7)19-2)10-9(13)11(17)16-12(14)15-10/h3-5H,1-2H3,(H3,14,15,16,17)
  • InChiKey: OYIUBHYMNCFGDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-azanyl-6-(3,5-dimethoxyphenyl)-5-iodo-1H-pyrimidin-4-one
  • 4(3H)-Pyrimidinone, 2-amino-6-(3,5-dimethoxyphenyl)-5-iodo-
  • AIDS-220772
  • AIDS220772

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0359 0.0691
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1426 0.1759
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0359 0.0137
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Loa Loa (eye worm) hypothetical protein 0.0052 0.1046 0.1181
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0359 0.0524
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.1046 0.2379
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0359 0.0524
Loa Loa (eye worm) hypothetical protein 0.0049 0.0943 0.1025
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1426 0.3313
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0359 0.0524
Brugia malayi Metabotropic glutamate receptor precursor. 0.0039 0.0675 0.0984
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0269 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0359 0.0524
Loa Loa (eye worm) glutamate receptor 0.0039 0.0675 0.0617
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0359 0.0691
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0359 0.0137
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0359 0.0691
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0359 0.0691
Schistosoma mansoni coup transcription factor 0.0029 0.0359 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0359 0.0524
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0943 0.0606
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0269 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.1008 0.2285
Loa Loa (eye worm) hypothetical protein 0.0249 0.6851 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0033 0.0486 0.0131
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0144 0.3761 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0359 0.0524
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.6851 0.6734
Brugia malayi hypothetical protein 0.0026 0.0269 0.0392
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0359 0.0691
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0834 0.1858
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.6168 0.8962
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Brugia malayi steroid hormone receptor 0.0029 0.0359 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0359 0.0137
Brugia malayi ecdysteroid receptor 0.0029 0.0359 0.0524
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0359 0.0524
Leishmania major hypothetical protein, conserved 0.0026 0.0269 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0359 0.0524
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1426 0.1759
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0157 0.4148 0.5
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0359 0.0691
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0359 0.0524
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0269 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.0359 0.0691
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0359 0.0691
Brugia malayi metabotropic glutamate receptor type 2 0.0019 0.0078 0.0114
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1426 0.3313
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0359 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0359 0.0137
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1426 0.1107
Echinococcus granulosus tar DNA binding protein 0.0065 0.1426 0.1107
Schistosoma mansoni survival motor neuron protein 0.0051 0.1008 0.2285
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0359 0.0524
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0157 0.4148 0.5
Echinococcus multilocularis tumor protein p63 0.0355 1 1
Brugia malayi RNA binding protein 0.0065 0.1426 0.2082
Brugia malayi TAR-binding protein 0.0065 0.1426 0.2082
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1426 0.3313
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0359 0.0524
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1426 0.3313
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0359 0.0137
Brugia malayi nuclear hormone receptor 0.0029 0.0359 0.0524
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0359 0.0524
Onchocerca volvulus 0.0051 0.1008 0.9446
Echinococcus granulosus metabotropic glutamate receptor 2 0.0033 0.0486 0.0131
Brugia malayi nuclear receptor NHR-88 0.0029 0.0359 0.0524
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0359 0.0524
Schistosoma mansoni d-amino acid oxidase 0.0157 0.4148 1
Brugia malayi hypothetical protein 0.0249 0.6851 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1008 0.1471
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0359 0.0524
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0359 0.0691
Onchocerca volvulus 0.0052 0.1046 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0269 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0359 0.0524
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0269 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.1426 0.1759
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1426 0.3313
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0943 0.0606
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.6851 0.6734
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Schistosoma mansoni metabotropic glutamate receptor 0.0033 0.0486 0.1002
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1426 0.2082
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0359 0.0691
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0359 0.0691
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0359 0.0691
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0565 0.0825
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0269 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0359 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0359 0.0137
Loa Loa (eye worm) hypothetical protein 0.0029 0.0359 0.0137
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0269 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0359 0.0137
Loa Loa (eye worm) hypothetical protein 0.0157 0.4148 0.5893
Brugia malayi follicle stimulating hormone receptor 0.0226 0.6168 0.9002

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 55 mg kg-1 Antiviral activity against Forest virus (SFV) ChEMBL. 2999405

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

1 literature reference was collected for this gene.

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