Detailed information for compound 1809395

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.284 | Formula: C12H9N3OS
  • H donors: 2 H acceptors: 2 LogP: 2.01 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)cc1c(n2)[nH]c(=S)[nH]c1=O
  • InChi: 1S/C12H9N3OS/c1-6-2-3-9-7(4-6)5-8-10(13-9)14-12(17)15-11(8)16/h2-5H,1H3,(H2,13,14,15,16,17)
  • InChiKey: GVUDZZXTTCJKFI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 0.0009 0.0266 0.0266
Onchocerca volvulus 0.0055 0.3472 0.3725
Schistosoma mansoni cell adhesion molecule 0.0012 0.0472 0.0479
Schistosoma mansoni tyrosine kinase 0.0048 0.2939 0.2981
Onchocerca volvulus Tyrosine kinase homolog 0.014 0.9321 1
Schistosoma mansoni tyrosine kinase 0.0078 0.5038 0.511
Echinococcus multilocularis 0.0045 0.2779 0.2819
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0009 0.0266 0.0269
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.0472 0.0479
Echinococcus multilocularis epidermal growth factor receptor 0.008 0.5153 0.5227
Brugia malayi Fibronectin type III domain containing protein 0.0009 0.0266 0.0266
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0009 0.0266 0.0269
Echinococcus multilocularis neuroglian 0.0011 0.0428 0.0434
Echinococcus multilocularis insulin receptor 0.0048 0.2939 0.2981
Brugia malayi hypothetical protein 0.0009 0.0266 0.0266
Echinococcus granulosus roundabout 2 0.0014 0.0635 0.0644
Echinococcus granulosus Immunoglobulin 0.0009 0.0266 0.0269
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.008 0.5153 0.5227
Loa Loa (eye worm) hypothetical protein 0.0014 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0009 0.0266 0.0266
Brugia malayi Protein kinase domain containing protein 0.0048 0.2939 0.2939
Echinococcus granulosus peroxidasin 0.0006 0.0045 0.0046
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.986 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0009 0.0266 0.0266
Schistosoma mansoni nephrin 0.0011 0.0428 0.0434
Schistosoma mansoni tyrosine kinase 0.0048 0.2939 0.2981
Echinococcus granulosus epidermal growth factor receptor 0.008 0.5153 0.5227
Echinococcus granulosus defective proboscis extension response 0.0009 0.0266 0.0269
Schistosoma mansoni vesicular amine transporter 0.0009 0.0266 0.0269
Echinococcus granulosus neuroglian 0.0011 0.0428 0.0434
Loa Loa (eye worm) TK/INSR protein kinase 0.0048 0.2939 0.2939
Brugia malayi Peroxidasin 0.0006 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0006 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0012 0.0472 0.0472
Loa Loa (eye worm) TK/KIN16 protein kinase 0.015 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0311 0.0311
Schistosoma mansoni tyrosine kinase 0.0148 0.986 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0009 0.0266 0.0269
Echinococcus granulosus insulin receptor 0.0048 0.2939 0.2981
Echinococcus granulosus twitchin 0.0011 0.0428 0.0434
Loa Loa (eye worm) hypothetical protein 0.0009 0.0266 0.0266
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0048 0.2939 0.2981
Echinococcus multilocularis roundabout 2 0.0014 0.0635 0.0644
Echinococcus multilocularis Immunoglobulin 0.0009 0.0266 0.0269
Loa Loa (eye worm) hypothetical protein 0.0009 0.0266 0.0266
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0048 0.2939 0.2981
Onchocerca volvulus 0.0136 0.9043 0.9702
Schistosoma mansoni tyrosine kinase 0.0007 0.0115 0.0117
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.986 0.986
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.986 0.986
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.986 1
Schistosoma mansoni tyrosine kinase 0.008 0.5153 0.5227
Loa Loa (eye worm) hypothetical protein 0.0009 0.0266 0.0266
Schistosoma mansoni tyrosine kinase 0.0078 0.5038 0.511
Schistosoma mansoni tyrosine kinase 0.008 0.5153 0.5227
Schistosoma mansoni tyrosine kinase 0.0078 0.5038 0.511
Echinococcus multilocularis peroxidasin 0.0006 0.0045 0.0046
Loa Loa (eye worm) hypothetical protein 0.0014 0.0635 0.0635
Echinococcus multilocularis Immunoglobulin 0.0009 0.0266 0.0269

Activities

Activity type Activity value Assay description Source Reference
DIZ (functional) Antifungal activity against Candida albicans NCIM 3471 at 1000 ug/disk after 72 hr by disk diffusion method ChEMBL. No reference
DIZ (functional) Antifungal activity against Candida albicans NCIM 3471 at 500 ug/disk after 72 hr by disk diffusion method ChEMBL. No reference
IZ (functional) = 9 mm Antibacterial activity against Escherichia coli NCIM 2065 at 500 ug/disk after 24 hr by disk diffusion method ChEMBL. No reference
IZ (functional) = 11 mm Antibacterial activity against Escherichia coli NCIM 2065 at 1000 ug/disk after 24 hr by disk diffusion method ChEMBL. No reference
MIC (functional) Antifungal activity against Candida albicans NCIM 3471 after 72 hr by broth dilution assay ChEMBL. No reference
MIC (functional) = 31.2 ug ml-1 Antibacterial activity against Escherichia coli NCIM 2065 after 24 hr by broth dilution assay ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.