Detailed information for compound 692354

Basic information

Technical information
  • TDR Targets ID: 692354
  • Name: 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-t etrahydroquinazolin-4-yl]sulfanyl]-N-[2-(trif luoromethyl)phenyl]acetamide
  • MW: 468.536 | Formula: C22H27F3N4O2S
  • H donors: 1 H acceptors: 2 LogP: 3.8 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCn1c(=O)nc(c2c1CCCC2)SCC(=O)Nc1ccccc1C(F)(F)F)C
  • InChi: 1S/C22H27F3N4O2S/c1-28(2)12-7-13-29-18-11-6-3-8-15(18)20(27-21(29)31)32-14-19(30)26-17-10-5-4-9-16(17)22(23,24)25/h4-5,9-10H,3,6-8,11-14H2,1-2H3,(H,26,30)
  • InChiKey: GGIFKIIFNZGWJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[[1-(3-dimethylaminopropyl)-2-keto-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide
  • 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide

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 apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Brugia malayi Carboxylesterase family protein 0.0295 0.1593 0.1593
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1744 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0295 0.1593 0.1593
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.1744 1 1
Echinococcus multilocularis acetylcholinesterase 0.1744 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0295 0.1593 0.1593
Brugia malayi hypothetical protein 0.0295 0.1593 0.1593
Brugia malayi Carboxylesterase family protein 0.0295 0.1593 0.1593
Onchocerca volvulus 0.0295 0.1593 0.5
Echinococcus granulosus neuroligin 0.0295 0.1593 0.1593
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0295 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Brugia malayi Carboxylesterase family protein 0.0295 0.1593 0.1593
Toxoplasma gondii exonuclease III APE 0.002 0 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0295 0.1593 1
Echinococcus granulosus para nitrobenzyl esterase 0.0295 0.1593 0.1593
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Brugia malayi Carboxylesterase family protein 0.0295 0.1593 0.1593
Trichomonas vaginalis spcc417.12 protein, putative 0.0295 0.1593 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0295 0.1593 0.1593
Echinococcus multilocularis acetylcholinesterase 0.1744 1 1
Schistosoma mansoni acetylcholinesterase 0.0295 0.1593 0.1593
Schistosoma mansoni gliotactin 0.0295 0.1593 0.1593
Brugia malayi Carboxylesterase family protein 0.1744 1 1
Onchocerca volvulus 0.0295 0.1593 0.5
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Echinococcus multilocularis neuroligin 0.0295 0.1593 0.1593
Loa Loa (eye worm) carboxylesterase 0.0295 0.1593 0.1593
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0295 0.1593 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Echinococcus granulosus BC026374 protein S09 family 0.0295 0.1593 0.1593
Echinococcus granulosus carboxylesterase 5A 0.1744 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0295 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Onchocerca volvulus 0.0295 0.1593 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1744 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0295 0.1593 0.1593
Schistosoma mansoni BC026374 protein (S09 family) 0.0295 0.1593 0.1593
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0295 0.1593 1
Echinococcus granulosus acetylcholinesterase 0.1744 1 1
Loa Loa (eye worm) hypothetical protein 0.1744 1 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.1593 0.1593
Loa Loa (eye worm) carboxylesterase 0.1744 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0295 0.1593 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0295 0.1593 1
Onchocerca volvulus 0.0295 0.1593 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0295 0.1593 0.1593
Echinococcus multilocularis para nitrobenzyl esterase 0.0295 0.1593 0.1593
Echinococcus multilocularis BC026374 protein (S09 family) 0.0295 0.1593 0.1593
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1744 1 1
Onchocerca volvulus 0.0295 0.1593 0.5
Echinococcus granulosus acetylcholinesterase 0.1744 1 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.

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