Detailed information for compound 786698

Basic information

Technical information
  • TDR Targets ID: 786698
  • Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-meth yl-6-oxo-3H-pyrimidin-2-yl)sulfanyl]acetamide
  • MW: 346.427 | Formula: C15H14N4O2S2
  • H donors: 2 H acceptors: 5 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1sc2c(n1)ccc(c2)C)CSc1nc(C)cc(n1)O
  • InChi: 1S/C15H14N4O2S2/c1-8-3-4-10-11(5-8)23-15(17-10)19-13(21)7-22-14-16-9(2)6-12(20)18-14/h3-6H,7H2,1-2H3,(H,16,18,20)(H,17,19,21)
  • InChiKey: PYCFDLXEZWTWPR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl)thio]acetamide
  • 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
  • N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-3H-pyrimidin-2-yl)sulfanyl]ethanamide
  • EU-0084280
  • BIM-0004635.P001
  • CBMicro_004572
  • ZINC00050559

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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 0.2117 1
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.0412 0.0412
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0076 0.036
Loa Loa (eye worm) hypothetical protein 0.0054 0.0365 0.0291
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.0412 0.1947
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 0.0412 0.0658
Schistosoma mansoni hypothetical protein 0.0054 0.0365 0.0583
Brugia malayi nuclear hormone receptor 0.0057 0.0412 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 0.0412 0.0339
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 0.0412 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 0.0412 0.0339
Leishmania major carbonic anhydrase-like protein 0.0146 0.2117 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0146 0.2117 0.2117
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0412 0.1495
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 0.0412 0.0412
Brugia malayi nuclear receptor NHR-88 0.0057 0.0412 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0412 0.0412
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0412 0.0412
Onchocerca volvulus 0.0236 0.3834 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 0.2117 0.3379
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 0.0412 0.0658
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0412 0.0412
Echinococcus multilocularis thyroid hormone receptor alpha 0.0179 0.2757 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0365 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 0.0412 0.0412
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 0.0412 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 0.0412 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0412 0.0412
Schistosoma mansoni ap endonuclease 0.0039 0.0076 0.0122
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1674 0.7908
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.0412 0.1495
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 0.0412 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 0.0412 0.0339
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0076 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0057 0.0412 0.0658
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0412 0.0412
Echinococcus granulosus FTZ F1 alpha 0.0057 0.0412 0.1947
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0146 0.2117 0.2117
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0365 0.1324
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.0412 0.1947
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.3288 0.3236
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Schistosoma mansoni RAR-like nuclear receptor 0.0057 0.0412 0.0658
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Brugia malayi Steroid receptor seven-up type 2 0.0057 0.0412 0.0412
Brugia malayi ecdysteroid receptor 0.0057 0.0412 0.0412
Echinococcus granulosus carbonic anhydrase 0.0054 0.0365 0.1724
Echinococcus granulosus ecdysone induced protein 78C 0.0057 0.0412 0.1947
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0076 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0365 0.0583
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0412 0.1947
Schistosoma mansoni hypothetical protein 0.0123 0.1674 0.2672
Loa Loa (eye worm) carbonic anhydrase 3 0.0146 0.2117 0.2057
Echinococcus granulosus carbonic anhydrase 0.0054 0.0365 0.1724
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0412 0.0412
Echinococcus granulosus carbonic anhydrase 0.0054 0.0365 0.1724
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0076 0.0076
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.0412 0.1495
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0412 0.1495
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 0.0412 0.0658
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0076 0.0276
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0365 0.0365
Echinococcus granulosus carbonic anhydrase II 0.0146 0.2117 1
Schistosoma mansoni thyroid hormone receptor 0.0179 0.2757 0.4399
Schistosoma mansoni carbonic anhydrase 0.0054 0.0365 0.0583
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.0412 0.0658
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 0.0412 0.0412
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.0412 0.1495
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 0.0412 0.0339
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0076 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.0412 0.1495
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.0365 0.0291
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0365 0.0365
Echinococcus multilocularis carbonic anhydrase II 0.0146 0.2117 0.7681
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0365 0.1324
Brugia malayi Pre-SET motif family protein 0.0207 0.3288 0.3288
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 0.0412 0.0339
Trichomonas vaginalis set domain proteins, putative 0.0236 0.3834 1
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0412 0.0658
Schistosoma mansoni ap endonuclease 0.0039 0.0076 0.0122
Loa Loa (eye worm) hypothetical protein 0.0054 0.0365 0.0291
Toxoplasma gondii hypothetical protein 0.0054 0.0365 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.0412 0.1947
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0365 0.1324
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0076 0.5
Brugia malayi steroid hormone receptor 0.0057 0.0412 0.0412
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0363 0.6266 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 0.0412 0.0412
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.0412 0.1947
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 0.0412 0.0658
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Schistosoma mansoni thyroid hormone receptor 0.0179 0.2757 0.4399
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0365 0.0365
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1674 0.6074
Loa Loa (eye worm) hypothetical protein 0.0057 0.0412 0.0339
Trypanosoma brucei carbonic anhydrase-like protein 0.0146 0.2117 1
Schistosoma mansoni coup transcription factor 0.0057 0.0412 0.0658
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0365 0.0583
Loa Loa (eye worm) hypothetical protein 0.0054 0.0365 0.0291
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0365 0.0365
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 0.0412 0.0412
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0365 0.0583
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0146 0.2117 0.3379
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 0.0412 0.0339
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 0.0412 0.0658
Loa Loa (eye worm) steroid hormone receptor 0.0057 0.0412 0.0339
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 0.0412 0.0658
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.0412 0.1495
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0146 0.2117 1
Plasmodium falciparum carbonic anhydrase 0.0054 0.0365 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.0412 0.1495
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 0.0412 0.1947
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0412 0.1947
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0146 0.2117 0.2057
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0076 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.