Detailed information for compound 1111119

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 190.242 | Formula: C11H14N2O
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C(=N\O)/C(=C/c1cccnc1)/C
  • InChi: 1S/C11H14N2O/c1-3-11(13-14)9(2)7-10-5-4-6-12-8-10/h4-8,14H,3H2,1-2H3/b9-7+,13-11+
  • InChiKey: YRXHHMUCQVXQQZ-PTSVWTKZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily A, member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum ko:K04984 transient receptor potential cation channel, subfamily A, member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus granulosus transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus granulosus ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma mansoni transient receptor potential cation channel subfamily A member Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
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
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0748 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0192 0.9788 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1952 0.1994
Brugia malayi hypothetical protein 0.0025 0.0748 0.2854
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1952 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0748 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1952 0.1952
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0748 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1952 0.1952
Leishmania major hypothetical protein, conserved 0.0025 0.0748 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0748 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0748 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1952 0.1994
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1952 0.1952
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0748 0.5
Echinococcus granulosus ankyrin repeat protein 0.0192 0.9788 0.9788
Echinococcus multilocularis transient receptor potential cation channel 0.0196 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0748 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1952 1
Echinococcus multilocularis ankyrin repeat protein 0.0192 0.9788 0.9788
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1952 0.1994
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1952 0.1952

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17 uM Antagonist activity at human TRPA1 channel expressed in CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx ChEMBL. 20356305

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.

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