TDR Targets

Basic information

Technical information

TDR Targets ID: 37624
Name: N-phenylimidazo[1,5-a]quinoxalin-4-amine
MW: 260.293 | Formula: C16H12N4
H donors: 1 H acceptors: 2 LogP: 4.08 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)Nc1nc2ccccc2n2c1cnc2
InChi: 1S/C16H12N4/c1-2-6-12(7-3-1)18-16-15-10-17-11-20(15)14-9-5-4-8-13(14)19-16/h1-11H,(H,18,19)
InChiKey: WKJCHOQQNKWMOD-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-phenyl-4-imidazo[1,5-a]quinoxalinamine
imidazo[1,5-a]quinoxalin-4-yl(phenyl)amine
N-phenylimidazo[5,1-c]quinoxalin-4-amine
N-phenyl-4-imidazo[5,1-c]quinoxalinamine
imidazo[5,1-c]quinoxalin-4-yl-phenyl-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	LCK proto-oncogene, Src family tyrosine kinase	Starlite/ChEMBL	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0299	0.0299
Onchocerca volvulus		0.0554	0.669	0.5
Brugia malayi	TspO/MBR family protein	0.0554	0.669	0.669
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0019	0.0029	0.0029
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0299	0.0299
Schistosoma mansoni	tyrosine kinase	0.0019	0.0029	0.0029
Echinococcus multilocularis	dual specificity	0.0092	0.0941	0.0941
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0092	0.0941	1
Loa Loa (eye worm)	hypothetical protein	0.082	1	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0049	0.0401	0.0401
Loa Loa (eye worm)	IRE protein kinase	0.0096	0.0993	0.0993
Echinococcus granulosus	c src tyrosine kinase	0.0019	0.0029	0.0029
Onchocerca volvulus		0.0554	0.669	0.5
Brugia malayi	SRC-1	0.0049	0.0401	0.0401
Loa Loa (eye worm)	SRC-1	0.0049	0.0401	0.0401
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0063	0.0574	0.0574
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0941	0.0941
Schistosoma mansoni	tyrosine kinase	0.0049	0.0401	0.0401
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0092	0.0941	0.0941
Brugia malayi	Protein kinase domain containing protein	0.0063	0.0574	0.0574
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0049	0.0401	0.0401
Entamoeba histolytica	protein kinase, putative	0.0092	0.0941	0.9349
Schistosoma mansoni	tyrosine kinase	0.0049	0.0401	0.0401
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0049	0.0401	0.0401
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0049	0.0401	0.0401
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0574	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0299	0.0299
Brugia malayi	Protein kinase domain containing protein	0.0092	0.0941	0.0941
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.0554	0.669	0.5
Loa Loa (eye worm)	hypothetical protein	0.0554	0.669	0.669
Schistosoma mansoni	tyrosine kinase	0.0019	0.0029	0.0029
Onchocerca volvulus		0.0554	0.669	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0414	0.0414
Echinococcus granulosus	tyrosine protein kinase HCK	0.0032	0.0195	0.0195
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0019	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0559	0.0559
Brugia malayi	Tyrosine-protein kinase abl-1	0.0019	0.0029	0.0029
Entamoeba histolytica	hypothetical protein	0.0092	0.0941	0.9349
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0063	0.0574	0.5
Entamoeba histolytica	protein kinase, putative	0.0092	0.0941	0.9349
Loa Loa (eye worm)	TK protein kinase	0.0032	0.0195	0.0195
Entamoeba histolytica	protein kinase, putative	0.0096	0.0993	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0926	0.0926
Plasmodium falciparum	protein serine/threonine kinase-1	0.0063	0.0574	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0019	0.0029	0.0029
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0019	0.0029	0.0029
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.0941	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.082	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0049	0.0401	0.0401
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.082	1	1
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0554	0.669	0.669
Echinococcus multilocularis	serine:threonine protein kinase:endoribonuclease	0.0096	0.0993	0.0993
Echinococcus granulosus	dual specificity protein kinase clk2	0.0063	0.0574	0.0574
Plasmodium vivax	serine/threonine kinase-1, putative	0.0063	0.0574	0.5
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.0941	1
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0554	0.669	0.669
Echinococcus granulosus	translocator protein	0.0554	0.669	0.669
Echinococcus multilocularis		0.0061	0.0559	0.0559
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0299	0.0299
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0049	0.0401	0.0401
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.082	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0063	0.0574	0.0574
Echinococcus granulosus	tyrosine kinase	0.0041	0.0299	0.0299
Echinococcus granulosus	hypothetical protein	0.0061	0.0559	0.0559
Echinococcus multilocularis	translocator protein	0.0554	0.669	0.669
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0049	0.0401	0.0401
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0038	0.027	0.027
Entamoeba histolytica	protein kinase, putative	0.0096	0.0993	1
Loa Loa (eye worm)	hypothetical protein	0.0554	0.669	0.669
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0038	0.027	0.027
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0299	0.0299
Giardia lamblia	Kinase, CMGC CLK	0.0063	0.0574	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0019	0.0029	0.0029
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0092	0.0941	1
Echinococcus granulosus	dual specificity	0.0092	0.0941	0.0941
Onchocerca volvulus		0.0554	0.669	0.5
Brugia malayi	Ribonuclease 2-5A family protein	0.0096	0.0993	0.0993
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0574	0.0574
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0049	0.0401	0.0401
Brugia malayi	hypothetical protein	0.0224	0.2578	0.2578
Echinococcus granulosus	serine:threonine protein kinase:endoribonuclease	0.0096	0.0993	0.0993
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0401	0.0401
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0049	0.0401	0.0401
Echinococcus granulosus	tyrosine protein kinase Lyn	0.005	0.0417	0.0417
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0049	0.0401	0.0401
Brugia malayi	protein-tyrosine kinase	0.0041	0.0299	0.0299
Entamoeba histolytica	protein kinase domain containing protein	0.0092	0.0941	0.9349
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0926	0.0926
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0032	0.0195	0.0195
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0574	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0554	0.669	0.669

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 890 nM	Evaluated for inhibition of human p56 Lck tyrosine kinase	ChEMBL.	15115396
IC50 (binding)	= 890 nM	Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression system	ChEMBL.	11992777
IC50 (binding)	= 890 nM	Inhibition of Lck (unknown origin)	ChEMBL.	18271520
IC50 (binding)	= 890 nM	Evaluated for inhibition of human p56 Lck tyrosine kinase	ChEMBL.	15115396
IC50 (binding)	= 890 nM	Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression system	ChEMBL.	11992777
IC50 (binding)	= 890 nM	Inhibition of Lck (unknown origin)	ChEMBL.	18271520

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

ChEMBL: CHEMBL29856
PubChem: 21994606

Bibliographic References

3 literature references were collected for this gene.

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

Detailed information for compound 37624