Detailed information for compound 799876

Basic information

Technical information
  • TDR Targets ID: 799876
  • Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methy l-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-y l)sulfanyl]acetamide
  • MW: 369.486 | Formula: C13H15N5O2S3
  • H donors: 1 H acceptors: 4 LogP: 1.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc(s1)NC(=O)CSc1nc2CCSc2c(=O)n1C
  • InChi: 1S/C13H15N5O2S3/c1-3-9-16-17-12(23-9)15-8(19)6-22-13-14-7-4-5-21-10(7)11(20)18(13)2/h3-6H2,1-2H3,(H,15,17,19)
  • InChiKey: LCCJIZXKSYNHJQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide
  • N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-keto-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetamide
  • N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]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
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Leishmania major hypothetical protein, conserved 0.0053 0.0228 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0063 0.0353 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.1425 0.3072
Treponema pallidum sodium- and chloride- dependent transporter 0.0151 0.1425 0.5
Echinococcus multilocularis serotonin transporter 0.0151 0.1425 0.1112
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0063 0.0353 0.5
Loa Loa (eye worm) norepinephrine transporter 0.0151 0.1425 0.3072
Mycobacterium ulcerans carboxylesterase, LipT 0.0063 0.0353 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0228 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.025 0.2626 0.6152
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0373 0.4127 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0373 0.4127 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0151 0.1425 0.2842
Brugia malayi Carboxylesterase family protein 0.0063 0.0353 0.0855
Brugia malayi Carboxylesterase family protein 0.0063 0.0353 0.0855
Loa Loa (eye worm) hypothetical protein 0.0373 0.4127 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0063 0.0353 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0151 0.1425 0.3072
Echinococcus multilocularis acetylcholinesterase 0.0373 0.4127 0.3912
Echinococcus multilocularis carboxylesterase 5A 0.0373 0.4127 0.3912
Echinococcus granulosus acetylcholinesterase 0.0373 0.4127 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1425 0.3072
Echinococcus granulosus acetylcholinesterase 0.0373 0.4127 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0151 0.1425 0.3454
Echinococcus granulosus serotonin transporter 0.0151 0.1425 0.2842
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0228 0.5
Brugia malayi hypothetical protein 0.0063 0.0353 0.0855
Loa Loa (eye worm) hypothetical protein 0.0373 0.4127 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Loa Loa (eye worm) MH2 domain-containing protein 0.025 0.2626 0.6152
Schistosoma mansoni sodium/chloride dependent transporter 0.0151 0.1425 0.2842
Brugia malayi Carboxylesterase family protein 0.0373 0.4127 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0063 0.0353 0.5
Loa Loa (eye worm) carboxylesterase 0.0063 0.0353 0.0321
Loa Loa (eye worm) serotonin transporter b 0.0151 0.1425 0.3072
Echinococcus multilocularis acetylcholinesterase 0.0373 0.4127 0.3912
Brugia malayi Carboxylesterase family protein 0.0063 0.0353 0.0855
Loa Loa (eye worm) hypothetical protein 0.0063 0.0353 0.0321
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0228 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.1425 0.3072
Brugia malayi Carboxylesterase family protein 0.0063 0.0353 0.0855
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0228 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0063 0.0353 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0228 0.5
Loa Loa (eye worm) carboxylesterase 0.0373 0.4127 1
Brugia malayi Carboxylesterase family protein 0.0373 0.4127 1
Echinococcus granulosus carboxylesterase 5A 0.0373 0.4127 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0228 0.5
Brugia malayi hypothetical protein 0.0053 0.0228 0.0551
Loa Loa (eye worm) carboxylesterase 0.0063 0.0353 0.0321
Brugia malayi MH2 domain containing protein 0.025 0.2626 0.6364
Onchocerca volvulus 0.0151 0.1425 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0228 0.5

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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