Detailed information for compound 692436

Basic information

Technical information
  • TDR Targets ID: 692436
  • Name: 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-t etrahydroquinazolin-4-yl]sulfanyl]-N-(3-methy lphenyl)acetamide
  • MW: 414.564 | Formula: C22H30N4O2S
  • H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCn1c(=O)nc(c2c1CCCC2)SCC(=O)Nc1cccc(c1)C)C
  • InChi: 1S/C22H30N4O2S/c1-16-8-6-9-17(14-16)23-20(27)15-29-21-18-10-4-5-11-19(18)26(22(28)24-21)13-7-12-25(2)3/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3,(H,23,27)
  • InChiKey: AABIAPGEOBPRLJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-(3-methylphenyl)acetamide
  • 2-[[1-(3-dimethylaminopropyl)-2-keto-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-(3-methylphenyl)acetamide
  • 2-[[1-(3-dimethylaminopropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-(3-methylphenyl)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
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Brugia malayi putative malonyl-CoA decarboxylase 0.0309 0.9191 1
Plasmodium falciparum transporter, putative 0.0036 0.0416 0.5
Plasmodium vivax amine transporter, putative 0.0036 0.0416 0.5
Toxoplasma gondii hypothetical protein 0.0036 0.0416 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0036 0.0416 0.0695
Echinococcus granulosus sodium and chloride dependent glycine 0.0036 0.0416 0.0695
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0122 0.3172 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0036 0.0416 0.0695
Loa Loa (eye worm) serotonin transporter b 0.0209 0.5985 0.6347
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.0453
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.0309 0.9191 0.5
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Echinococcus multilocularis serotonin transporter 0.0209 0.5985 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Loa Loa (eye worm) hypothetical protein 0.0309 0.9191 1
Loa Loa (eye worm) transcription factor SMAD2 0.0075 0.1693 0.1455
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0122 0.3172 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0416 0.5
Loa Loa (eye worm) hypothetical protein 0.0209 0.5985 0.6347
Echinococcus multilocularis sodium and chloride dependent glycine 0.0036 0.0416 0.0695
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Echinococcus granulosus serotonin transporter 0.0209 0.5985 1
Loa Loa (eye worm) norepinephrine transporter 0.0209 0.5985 0.6347
Schistosoma mansoni sodium/chloride dependent transporter 0.0209 0.5985 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0075 0.1693 0.1455
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0209 0.5985 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0036 0.0416 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Loa Loa (eye worm) hypothetical protein 0.0209 0.5985 0.6347
Schistosoma mansoni sodium/chloride dependent transporter 0.0036 0.0416 0.0695
Loa Loa (eye worm) solute carrier family 6 member 4 0.0209 0.5985 0.6347
Echinococcus granulosus sodium and chloride dependent glycine 0.0036 0.0416 0.0695
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0036 0.0416 0.0695
Loa Loa (eye worm) hypothetical protein 0.0209 0.5985 0.6347
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0036 0.0416 0.0695
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0122 0.3172 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0036 0.0416 0.0695
Mycobacterium ulcerans short chain dehydrogenase 0.0335 1 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0036 0.0416 0.0695
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0036 0.0416 0.0453
Brugia malayi hypothetical protein 0.0036 0.0416 0.0453
Schistosoma mansoni sodium/chloride dependent transporter 0.0036 0.0416 0.0695
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Plasmodium falciparum amino acid transporter, putative 0.0036 0.0416 0.5
Leishmania major malonyl-coa decarboxylase-like protein 0.0122 0.3172 0.5
Toxoplasma gondii hypothetical protein 0.0036 0.0416 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.0453
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0209 0.5985 0.6512
Entamoeba histolytica hypothetical protein 0.0023 0 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0036 0.0416 0.0695
Onchocerca volvulus 0.0209 0.5985 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0036 0.0416 0.0453
Echinococcus multilocularis sodium and chloride dependent glycine 0.0036 0.0416 0.0695
Treponema pallidum sodium- and chloride- dependent transporter 0.0209 0.5985 0.5
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0036 0.0416 0.0695
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0036 0.0416 0.0695
Brugia malayi MH2 domain containing protein 0.0075 0.1693 0.1842

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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