Detailed information for compound 1154354

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.462 | Formula: C17H23N5OS
  • H donors: 0 H acceptors: 3 LogP: 1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1ncc(c1)N1CCC2(C1=O)CCCN(C2)Cc1csc(n1)C
  • InChi: 1S/C17H23N5OS/c1-13-19-14(11-24-13)9-21-6-3-4-17(12-21)5-7-22(16(17)23)15-8-18-20(2)10-15/h8,10-11H,3-7,9,12H2,1-2H3
  • InChiKey: AWNALDAPGQHTBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 0.0203 0.1334 0.0591
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0185 0.1123 0.108
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0185 0.1123 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.1375
Schistosoma mansoni hypothetical protein 0.0438 0.4191 0.5583
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0171 0.0946 0.0834
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.1375
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Echinococcus granulosus neuropeptide s receptor 0.0522 0.5216 0.6799
Echinococcus granulosus ectonucleotide 0.0171 0.0946 0.0834
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0203 0.1334 0.1777
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0171 0.0946 0.0618
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.1123 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0522 0.5216 0.5043
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0133 0.0487 0.0192
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0711 0.7507 1
Trypanosoma brucei endonuclease G, putative 0.0122 0.0349 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0711 0.7507 0.7417
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.1123 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0522 0.5216 0.5043
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.1375
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0203 0.1334 0.1777
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.1123 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0711 0.7507 1
Schistosoma mansoni hypothetical protein 0.0191 0.1194 0.1591
Echinococcus granulosus geminin 0.0191 0.1194 0.118
Trypanosoma brucei endonuclease G, putative 0.0122 0.0349 0.5
Trypanosoma brucei endonuclease G, putative 0.0122 0.0349 0.5
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0203 0.1334 0.1375
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0711 0.7507 1
Echinococcus multilocularis geminin 0.0191 0.1194 0.0875
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.1123 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0203 0.1334 0.1777
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.1123 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 0.0487 0.0143
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0203 0.1334 0.1777
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0122 0.0349 0.5
Onchocerca volvulus 0.0203 0.1334 0.0688
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Onchocerca volvulus 0.0438 0.4191 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0122 0.0349 0.5
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.1375
Echinococcus granulosus neuropeptide receptor A26 0.0522 0.5216 0.6799
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0438 0.4191 0.4946
Trypanosoma cruzi endonuclease G, putative 0.0122 0.0349 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0122 0.0349 0.5
Leishmania major endonuclease G, putative 0.0122 0.0349 0.5
Schistosoma mansoni lipoxygenase 0.0133 0.0487 0.0649
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.1123 0.5
Schistosoma mansoni endonuclease related 0.0122 0.0349 0.0466
Brugia malayi Thrombospondin type 1 domain containing protein 0.0438 0.4191 0.5367
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.1123 0.5
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.102
Trypanosoma cruzi endonuclease G, putative 0.0122 0.0349 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.1123 0.5
Loa Loa (eye worm) hypothetical protein 0.0203 0.1334 0.0591
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0128 0.0428 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0711 0.7507 1
Schistosoma mansoni hypothetical protein 0.0191 0.1194 0.1591
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0185 0.1123 0.5
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0122 0.0349 0.5
Echinococcus multilocularis ectonucleotide 0.0171 0.0946 0.0618
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0185 0.1123 0.0269
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0203 0.1334 0.1375
Loa Loa (eye worm) hypothetical protein 0.0203 0.1334 0.0591
Onchocerca volvulus 0.0203 0.1334 0.0688

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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