Detailed information for compound 1051464

Basic information

Technical information
  • TDR Targets ID: 1051464
  • Name: 6-amino-2-[tri(phenyl)methylsulfanyl]-1H-pyri midin-4-one
  • MW: 385.481 | Formula: C23H19N3OS
  • H donors: 2 H acceptors: 1 LogP: 4.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc(=O)[nH]c(n1)SC(c1ccccc1)(c1ccccc1)c1ccccc1
  • InChi: 1S/C23H19N3OS/c24-20-16-21(27)26-22(25-20)28-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H3,24,25,26,27)
  • InChiKey: RZLJBZCIUUIUAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-2-[tri(phenyl)methylthio]-1H-pyrimidin-4-one
  • ZINC08016374

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
Brugia malayi Receptor family ligand binding region containing protein 0.0137 0.1196 0.1792
Entamoeba histolytica glutamine synthetase, putative 0.0132 0.1127 1
Echinococcus granulosus Ankyrin repeat domain containing protein 0.0106 0.0793 0.0793
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0106 0.0793 0.073
Toxoplasma gondii aldehyde dehydrogenase 0.0072 0.0345 0.0152
Mycobacterium ulcerans glutamine synthetase 0.053 0.6307 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0253 0.0235
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0345 0.028
Schistosoma mansoni metabotropic glutamate receptor 0.0261 0.2802 0.2753
Echinococcus multilocularis Ankyrin repeat domain containing protein 0.0106 0.0793 0.0793
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0426 0.1268
Brugia malayi hypothetical protein 0.0279 0.3041 0.4722
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0067 0.0067
Loa Loa (eye worm) Gln-2 protein 0.0268 0.29 0.3584
Loa Loa (eye worm) hypothetical protein 0.0087 0.0542 0.0601
Leishmania major glutamine synthetase, putative 0.0268 0.29 1
Mycobacterium tuberculosis Probable glutamine synthetase GlnA4 (glutamine synthase) (GS-II) 0.0262 0.2821 0.4152
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.053 0.6307 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0067 0.0067
Echinococcus granulosus metabotropic glutamate receptor 5 0.0658 0.7971 0.7971
Brugia malayi hypothetical protein 0.0119 0.0967 0.1429
Onchocerca volvulus 0.0119 0.0967 0.1498
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.005 0.0067 0.0067
Brugia malayi follicle stimulating hormone receptor 0.0273 0.2967 0.4604
Brugia malayi Metabotropic glutamate receptor precursor. 0.0534 0.6365 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.1569 0.19
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0078 0.0426 0.3389
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0223 0.0223
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0106 0.0793 0.073
Echinococcus multilocularis survival motor neuron protein 1 0.0279 0.3041 0.3041
Onchocerca volvulus 0.0119 0.0967 0.1498
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0253 0.0187
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0087 0.0542 0.079
Brugia malayi Pre-SET motif family protein 0.045 0.5267 0.8257
Brugia malayi M-phase phosphoprotein, mpp8 0.0119 0.0967 0.1429
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0078 0.0426 0.0426
Echinococcus granulosus glutamate receptor 2 0.005 0.0067 0.0067
Echinococcus granulosus glutamine synthetase 0.0268 0.29 0.29
Loa Loa (eye worm) glutamate receptor 0.021 0.2148 0.2633
Mycobacterium ulcerans glutamine synthetase GlnA1 0.053 0.6307 1
Mycobacterium ulcerans hypothetical protein 0.0132 0.1127 0.1311
Onchocerca volvulus Poor gastrulation protein homolog 0.0087 0.0542 0.079
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0078 0.0426 0.0426
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.045 0.5267 0.6579
Schistosoma mansoni glutamine synthetase bacteria 0.0394 0.4534 0.4497
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0137 0.1196 0.1427
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0078 0.0426 0.057
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0067 0.0067
Echinococcus granulosus survival motor neuron protein 1 0.0279 0.3041 0.3041
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.053 0.6307 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0484 0.5711 0.8962
Chlamydia trachomatis endonuclease IV 0.0166 0.1569 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0658 0.7971 0.7971
Trypanosoma brucei glutamine synthetase, putative 0.0268 0.29 1
Echinococcus granulosus tyrosine kinase 0.005 0.0067 0.0067
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0065 0.0253 0.0253
Mycobacterium ulcerans hypothetical protein 0.0262 0.2821 0.4152
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0345 0.028
Echinococcus multilocularis glutamine synthetase 0.0268 0.29 0.29
Echinococcus multilocularis microtubule associated protein 2 0.0814 1 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.3041 0.3763
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0078 0.0426 0.0454
Loa Loa (eye worm) hypothetical protein 0.0374 0.428 0.533
Echinococcus granulosus GPCR family 3 C terminal 0.0087 0.0542 0.0542
Onchocerca volvulus Glutamine synthetase homolog 0.0268 0.29 0.4715
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0072 0.0345 0.0345
Echinococcus granulosus glutamate receptor 2 0.005 0.0067 0.0067
Echinococcus granulosus receptor type guanylyl cyclase 0.005 0.0067 0.0067
Mycobacterium ulcerans endonuclease IV 0.0166 0.1569 0.2053
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0154 0.0137
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.005 0.0067 0.0067
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0166 0.1569 0.2385
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0268 0.29 0.2852
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0078 0.0426 0.1268
Toxoplasma gondii endonuclease IV APN 0.0166 0.1569 0.2174
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0448 0.5237 0.5237
Echinococcus multilocularis GPCR, family 3, C terminal 0.0087 0.0542 0.0542
Mycobacterium tuberculosis Glutamine synthetase GlnA1 (glutamine synthase) (GS-I) 0.0262 0.2821 0.4152
Schistosoma mansoni hypothetical protein 0.0087 0.0542 0.0478
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0087 0.0542 0.0754
Onchocerca volvulus 0.0512 0.6076 1
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0394 0.4534 0.7026
Schistosoma mansoni glutamine synthetase bacteria 0.0394 0.4534 0.4497
Trypanosoma cruzi glutamine synthetase, putative 0.0268 0.29 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0067 0.0067
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.0253 0.0253
Schistosoma mansoni microtubule-associated protein tau 0.0814 1 1
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0166 0.1569 0.2053
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0078 0.0428 0.0363
Schistosoma mansoni metabotropic glutamate receptor 0.0448 0.5237 0.5204
Echinococcus multilocularis tyrosine kinase 0.005 0.0067 0.0067
Brugia malayi metabotropic glutamate receptor type 2 0.0261 0.2802 0.4342
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0608 0.7318 0.73
Trypanosoma cruzi glutamine synthetase, putative 0.0268 0.29 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 0.0345 0.0345
Loa Loa (eye worm) hypothetical protein 0.0658 0.7971 1
Onchocerca volvulus 0.0078 0.0428 0.0601
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0253 0.0187
Brugia malayi hypothetical protein 0.0144 0.1281 0.1927
Echinococcus multilocularis nmda type glutamate receptor 0.005 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0057 0.0154 0.0087
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.005 0.0067 0.0067
Echinococcus multilocularis atrial natriuretic peptide receptor 0.005 0.0067 0.0067
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0137 0.1196 0.1427
Echinococcus granulosus atrial natriuretic peptide receptor 0.005 0.0067 0.0067
Echinococcus granulosus nmda type glutamate receptor 0.005 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0119 0.0967 0.1139
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0394 0.4534 0.5
Trichomonas vaginalis set domain proteins, putative 0.0512 0.6076 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.005 0.0067 0.0067
Mycobacterium leprae GLUTAMINE SYNTHETASE GLNA1 (GLUTAMINE SYNTHASE) (Glutamate--ammonia ligase 1) (GS-I) 0.0262 0.2821 0.2641
Echinococcus multilocularis glutamate receptor 2 0.005 0.0067 0.0067
Plasmodium falciparum glutamine synthetase, putative 0.053 0.6307 1
Echinococcus multilocularis glutamate receptor 2 0.005 0.0067 0.0067
Schistosoma mansoni survival motor neuron protein 0.0057 0.0154 0.0087
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0078 0.0426 0.1268
Loa Loa (eye worm) hypothetical protein 0.0119 0.0967 0.1139
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0253 0.0187
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0078 0.0426 0.0361
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0065 0.0253 0.0253
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0166 0.1569 0.2174
Entamoeba histolytica glutamine synthetase, putative 0.0132 0.1127 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0262 0.2821 0.4152
Onchocerca volvulus 0.0057 0.0154 0.0144
Toxoplasma gondii glutamine synthetase, type I, putative 0.053 0.6307 1
Loa Loa (eye worm) glutamate receptor 0.0534 0.6365 0.7968
Echinococcus granulosus metabotropic glutamate receptor 2 0.0448 0.5237 0.5237
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 0.0345 0.0981
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.005 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0137 0.1196 0.1427
Brugia malayi Pre-SET motif family protein 0.0065 0.0253 0.0295
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.2967 0.3668
Plasmodium vivax glutamine synthetase, putative 0.053 0.6307 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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