Detailed information for compound 2151097

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.095 | Formula: C17H15ClN6O2
  • H donors: 0 H acceptors: 4 LogP: 2.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)nc2
  • InChi: InChI=1S/C17H15ClN6O2/c1-23-16-13(8-20-23)19-10-24(17(16)25)9-15-21-14(22-26-15)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3
  • InChiKey: GVDZPSKDMZOKOZ-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

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily A, member 1 References
Rattus norvegicus Transient receptor potential cation channel subfamily A member 1 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ankyrin repeat protein 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
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
Schistosoma japonicum ko:K04984 transient receptor potential cation channel, subfamily A, member 1, putative 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
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative 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
Echinococcus multilocularis transient receptor potential cation channel 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
Schistosoma mansoni transient receptor potential channel 0.0004 0.00000010479 0.00000010595
Onchocerca volvulus 0.0004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0004 0 0.5
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0004 0 0.5
Toxoplasma gondii hypothetical protein 0.0004 0 0.5
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0004 0 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Echinococcus granulosus ankyrin repeat protein 0.0384 0.9891 0.9898
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0384 0.9891 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.00000010479 0.0001
Toxoplasma gondii transporter, cation channel family protein 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.00000010479 0.0001
Echinococcus multilocularis transient receptor potential cation channel 0.0004 0.00000010479 0.00000010479
Echinococcus multilocularis ankyrin repeat protein 0.0384 0.9891 0.9891
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0004 0 0.5
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0004 0 0.5
Toxoplasma gondii hypothetical protein 0.0004 0 0.5
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0004 0 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0004 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0004 0.0008 0.0008
Toxoplasma gondii transporter, cation channel family protein 0.0004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0004 0.0008 1
Echinococcus granulosus short transient receptor potential channel 6 0.0004 0.0008 0.0008
Echinococcus multilocularis transient receptor potential cation channel 0.0004 0.0008 0.0008
Toxoplasma gondii transporter, cation channel family protein 0.0004 0 0.5
Leishmania major hypothetical protein, unknown function 0.0004 0 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0388 0.9992 1
Echinococcus granulosus transient receptor potential cation channel 0.0004 0.00000010479 0.00000010487
Schistosoma mansoni transient receptor potential channel 0.0004 0.00000010479 0.00000010595
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0004 0 0.5
Brugia malayi olfactory channel protein osm-9 0.0004 0.0008 1
Echinococcus granulosus transient receptor potential cation channel 0.0004 0.0008 0.0008
Echinococcus multilocularis short transient receptor potential channel 6 0.0004 0.0008 0.0008
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0004 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.025 uM Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced Ca2+ influx preincubated for 2 mins followed by AITC addition measured for 2 mins by Fluo-4 dye based FLIPR assay ChEMBL. 26942860
IC50 (binding) = 0.052 uM Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced Ca2+ influx preincubated for 2 mins followed by AITC addition measured for 2 mins by Fluo-4 dye based FLIPR assay ChEMBL. 26942860

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.