Detailed information for compound 1815801

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.415 | Formula: C18H15FN6OS
  • H donors: 2 H acceptors: 2 LogP: 2.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nn(c2c1c(=O)n(N)c(n2)Nc1ccccc1F)c1ccccc1
  • InChi: 1S/C18H15FN6OS/c1-27-16-14-15(25(23-16)11-7-3-2-4-8-11)22-18(24(20)17(14)26)21-13-10-6-5-9-12(13)19/h2-10H,20H2,1H3,(H,21,22)
  • InChiKey: PTTCIMUROQCDSP-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
Loa Loa (eye worm) hypothetical protein 0.004 0.0602 0.0602
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0998 0.0998
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0477 1 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0477 1 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0477 1 1
Echinococcus granulosus GPCR family 2 0.0018 0.0142 0.0142
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0477 1 0.5
Onchocerca volvulus 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0142 0.0142
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0018 0.0142 0.0142
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0142 0.0142
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0477 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0142 0.0142
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0477 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0142 0.0142
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0998 0.0998
Schistosoma mansoni hypothetical protein 0.0018 0.0142 0.0142
Trypanosoma brucei protein kinase, putative 0.0477 1 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0142 0.0142
Trichomonas vaginalis CMGC family protein kinase 0.0477 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 1 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0142 0.0142
Echinococcus multilocularis mitogen activated protein kinase 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0998 0.0998
Trichomonas vaginalis CMGC family protein kinase 0.0477 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0142 0.0142
Echinococcus multilocularis mitogen activated protein kinase 3 0.0477 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0602 0.0602
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0998 0.0998
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0602 0.0602
Giardia lamblia Kinase, CMGC MAPK 0.0477 1 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0477 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0477 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0142 0.0142
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0477 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0477 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0477 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0477 1 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0142 0.0142
Echinococcus multilocularis GPCR, family 2 0.0018 0.0142 0.0142
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0477 1 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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