Detailed information for compound 1854228

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 240.261 | Formula: C13H12N4O
  • H donors: 2 H acceptors: 2 LogP: 0.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nccc2c1[nH]c(=O)n2Cc1ccccc1
  • InChi: 1S/C13H12N4O/c14-12-11-10(6-7-15-12)17(13(18)16-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)(H,16,18)
  • InChiKey: QSBARZKOAZBOME-UHFFFAOYSA-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 toll-like receptor 7 Starlite/ChEMBL No references

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
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.1862 0.1862
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0022 0.1888 1
Toxoplasma gondii histone kinase SNF1, putative 0.0022 0.1888 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.1888 0.1888
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0022 0.1888 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trypanosoma brucei SNF1-related protein kinases, putative 0.0022 0.1888 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Plasmodium falciparum serine/threonine protein kinase KIN 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0022 0.1888 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0022 0.1888 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0116 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0022 0.1888 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0022 0.1888 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Brugia malayi hypothetical protein 0.0022 0.1862 0.1862
Giardia lamblia Kinase, CAMK CAMKL 0.0022 0.1888 0.5
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0116 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Brugia malayi putative serine/threonine kinase SADA gamma 0.0022 0.1888 0.1888
Giardia lamblia Kinase, CAMK CAMKL 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase 0.0022 0.1888 0.1888
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0022 0.1888 1
Onchocerca volvulus 0.0012 0.1028 0.5
Echinococcus multilocularis serine:threonine kinase SAD 1 0.0022 0.1888 0.1888
Loa Loa (eye worm) hypothetical protein 0.0022 0.1862 0.1862
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0116 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0022 0.1888 0.5
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0116 1 1

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) < 7 microL/min/mg Intrinsic clearance in human liver microsomes ChEMBL. No reference
EC50 (binding) > 4000 nM Agonist activity at TLR7 in 24 hrs compound pre-treated human PBMC assessed as inhibition of HCV replication in human HuH7 cells followed by human PBMC supernatant addition to HCV-infected HuH7 cells measured after 48 hrs by luciferase reporter gene 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.