Detailed information for compound 624408

Basic information

Technical information
  • TDR Targets ID: 624408
  • Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-( 2,6,8-trimethyl-5,7-dioxopyrimido[5,4-e]pyrim idin-4-yl)sulfanylacetamide
  • MW: 439.536 | Formula: C15H17N7O3S3
  • H donors: 1 H acceptors: 7 LogP: 1.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nnc(s1)NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C
  • InChi: 1S/C15H17N7O3S3/c1-5-26-14-20-19-13(28-14)18-8(23)6-27-11-9-10(16-7(2)17-11)21(3)15(25)22(4)12(9)24/h5-6H2,1-4H3,(H,18,19,23)
  • InChiKey: JQYVNNGOFHFYQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,6,8-trimethyl-5,7-dioxo-pyrimido[5,4-e]pyrimidin-4-yl)sulfanyl-acetamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(2,6,8-trimethyl-5,7-dioxo-4-pyrimido[5,4-e]pyrimidinyl)thio]acetamide
  • 2-[(5,7-diketo-2,6,8-trimethyl-pyrimido[5,4-e]pyrimidin-4-yl)thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide
  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,6,8-trimethyl-5,7-dioxo-pyrimido[5,4-e]pyrimidin-4-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
Echinococcus granulosus neuropeptide s receptor 0.0451 0.6624 0.6624
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0541 0.0541
Echinococcus multilocularis microtubule associated protein 2 0.0677 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0541 0.0541
Echinococcus granulosus geminin 0.0198 0.2831 0.2831
Schistosoma mansoni hypothetical protein 0.0198 0.2831 0.2831
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0179 0.2548 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0715 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1249 0.49
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0179 0.2548 0.5
Brugia malayi TAR-binding protein 0.0062 0.0802 0.3148
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0802 0.0802
Echinococcus granulosus neuropeptide receptor A26 0.0451 0.6624 0.6624
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0802 0.0802
Plasmodium vivax protease, putative 0.0037 0.0425 0.5
Onchocerca volvulus 0.0092 0.1249 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0541 0.0541
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0802 0.0802
Brugia malayi MH2 domain containing protein 0.0125 0.1742 0.6834
Loa Loa (eye worm) RNA binding protein 0.0062 0.0802 0.3148
Echinococcus multilocularis neuropeptide receptor A26 0.0451 0.6624 0.6624
Echinococcus granulosus tar DNA binding protein 0.0062 0.0802 0.0802
Echinococcus multilocularis CAAX prenyl protease 2 0.0179 0.2548 0.2548
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0715 0.0715
Echinococcus multilocularis geminin 0.0198 0.2831 0.2831
Loa Loa (eye worm) hypothetical protein 0.0092 0.1249 0.49
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.2548 0.2548
Schistosoma mansoni hypothetical protein 0.0198 0.2831 0.2831
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1742 0.6834
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0715 0.2804
Loa Loa (eye worm) hypothetical protein 0.0179 0.2548 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0715 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0802 0.3148
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0715 0.0715
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0541 0.2121
Echinococcus multilocularis neuropeptide s receptor 0.0451 0.6624 0.6624
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0179 0.2548 0.5
Toxoplasma gondii hypothetical protein 0.0037 0.0425 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0802 0.3148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0541 0.0541
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0541 0.0541
Plasmodium falciparum protease, putative 0.0037 0.0425 0.5
Treponema pallidum hypothetical protein 0.0037 0.0425 0.5
Echinococcus granulosus CAAX prenyl protease 2 0.0179 0.2548 0.2548
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0715 1
Entamoeba histolytica CAAX prenyl protease family 0.0179 0.2548 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0179 0.2548 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0715 0.0715
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0425 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0677 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0802 0.0802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0541 0.0541
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0802 0.0802
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0179 0.2548 0.2548
Brugia malayi CAAX amino terminal protease family protein 0.0179 0.2548 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.1249 0.1249
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0658 0.2582
Chlamydia trachomatis hypothetical protein 0.0037 0.0425 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0802 0.0802
Brugia malayi Trypsin family protein 0.0092 0.1249 0.49
Brugia malayi RNA binding protein 0.0062 0.0802 0.3148
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0541 0.0541
Toxoplasma gondii hypothetical protein 0.0037 0.0425 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0092 0.1249 0.1249
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1742 0.6834
Giardia lamblia Hypothetical protein 0.0179 0.2548 0.5
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0179 0.2548 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0541 0.2121
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0802 0.3148

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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