Detailed information for compound 1767598

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.287 | Formula: C11H9N5OS
  • H donors: 2 H acceptors: 3 LogP: 1.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=c1[nH]c2nc(nn2c(=O)[nH]1)Cc1ccccc1
  • InChi: 1S/C11H9N5OS/c17-11-14-10(18)13-9-12-8(15-16(9)11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,13,14,15,17,18)
  • InChiKey: FVUVAPGRJQGQFW-UHFFFAOYSA-N  

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
Echinococcus granulosus roundabout 2 0.0014 0.0137 0.0137
Schistosoma mansoni vesicular amine transporter 0.0011 0.0099 0.0466
Schistosoma mansoni tyrosine kinase 0.0098 0.1241 0.5855
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0013 0.0112 0.053
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0099 0.0099
Schistosoma mansoni cell adhesion molecule 0.0011 0.0099 0.0466
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0098 0.1241 0.1241
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0099 0.0466
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0647
Echinococcus granulosus twitchin 0.0015 0.0143 0.0143
Brugia malayi Protein kinase domain containing protein 0.0165 0.2119 1
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.2119 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Echinococcus granulosus defective proboscis extension response 0.0011 0.0099 0.0099
Echinococcus multilocularis roundabout 2 0.0014 0.0137 0.0137
Onchocerca volvulus Tyrosine kinase homolog 0.0004 0 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0165 0.2119 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Schistosoma mansoni nephrin 0.0014 0.0137 0.0647
Echinococcus granulosus neuroglian 0.0014 0.0137 0.0137
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0011 0.0099 0.0099
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0013 0.0112 0.0068
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2785 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0137 0.0647
Loa Loa (eye worm) TK protein kinase 0.0101 0.1279 0.6037
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0099 0.0466
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0098 0.1241 0.1241
Brugia malayi Immunoglobulin I-set domain containing protein 0.0101 0.1279 0.5843
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Echinococcus multilocularis neuroglian 0.0014 0.0137 0.0137
Echinococcus granulosus Immunoglobulin 0.0011 0.0099 0.0099
Echinococcus multilocularis Immunoglobulin 0.0011 0.0099 0.0099
Echinococcus multilocularis Immunoglobulin 0.0011 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0011 0.0099 0.0466
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0098 0.1241 0.1241
Echinococcus granulosus fibroblast growth factor receptor 4 0.0098 0.1241 0.1241
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 43.32 uM Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate after 4 to 20 mins by spectrophotometry ChEMBL. 23871912

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

1 literature reference was collected for this gene.

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