TDR Targets

Basic information

Technical information

TDR Targets ID: 36726
Name: N-(2-chlorophenyl)-N-methylimidazo[1,5-a]quin oxalin-4-amine
MW: 308.765 | Formula: C17H13ClN4
H donors: 0 H acceptors: 2 LogP: 4.85 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1N(c1nc2ccccc2n2c1cnc2)C
InChi: 1S/C17H13ClN4/c1-21(14-8-4-2-6-12(14)18)17-16-10-19-11-22(16)15-9-5-3-7-13(15)20-17/h2-11H,1H3
InChiKey: JIXVSVCPSQNTQV-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

N-(2-chlorophenyl)-N-methyl-imidazo[1,5-a]quinoxalin-4-amine
N-(2-chlorophenyl)-N-methyl-4-imidazo[1,5-a]quinoxalinamine
(2-chlorophenyl)-imidazo[1,5-a]quinoxalin-4-yl-methyl-amine
N-(2-chlorophenyl)-N-methylimidazo[5,1-c]quinoxalin-4-amine
N-(2-chlorophenyl)-N-methyl-imidazo[5,1-c]quinoxalin-4-amine
N-(2-chlorophenyl)-N-methyl-4-imidazo[5,1-c]quinoxalinamine
(2-chlorophenyl)-imidazo[5,1-c]quinoxalin-4-yl-methyl-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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0118	0.162	0.162
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0045	0.0045
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0045	0.0045
Plasmodium vivax	choline kinase, putative	0.0292	0.4121	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0118	0.162	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.001	0.0064	0.0064
Loa Loa (eye worm)	carboxylesterase	0.0118	0.162	0.162
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0064	0.0064
Loa Loa (eye worm)	carboxylesterase	0.0118	0.162	0.162
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.001	0.0064	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0701	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0064	0.0064
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0045	0.0045
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0045	0.0045
Schistosoma mansoni	tyrosine kinase	0.001	0.0064	0.0064
Onchocerca volvulus		0.0118	0.162	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0045	0.0045
Giardia lamblia	Ethanolamine kinase, putative	0.0028	0.0323	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0118	0.162	0.5
Brugia malayi	Carboxylesterase family protein	0.0701	1	1
Echinococcus granulosus	ethanolamine kinase 2	0.0028	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.001	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0701	1	1
Loa Loa (eye worm)	hypothetical protein	0.0701	1	1
Brugia malayi	Carboxylesterase family protein	0.0118	0.162	0.162
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0118	0.162	0.162
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0009	0.0045	0.0045
Echinococcus granulosus	acetylcholinesterase	0.0701	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0118	0.162	0.162
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0045	0.0045
Brugia malayi	Carboxylesterase family protein	0.0118	0.162	0.162
Echinococcus granulosus	carboxylesterase 5A	0.0701	1	1
Entamoeba histolytica	choline/ethanolamine kinase, putative	0.0028	0.0323	1
Echinococcus multilocularis	carboxylesterase 5A	0.0701	1	1
Trypanosoma brucei	choline/ethanolamine kinase	0.0028	0.0323	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0118	0.162	0.162
Echinococcus multilocularis	ethanolamine kinase 2	0.0028	0.0323	0.0323
Brugia malayi	Choline/ethanolamine kinase family protein	0.0028	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0323	0.0323
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.001	0.0064	0.0064
Onchocerca volvulus		0.0118	0.162	1
Brugia malayi	SRC-1	0.001	0.0064	0.0064
Echinococcus multilocularis	neuroligin	0.0118	0.162	0.162
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0045	0.0045
Loa Loa (eye worm)	SRC-1	0.001	0.0064	0.0064
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0064	0.0064
Echinococcus multilocularis	acetylcholinesterase	0.0701	1	1
Echinococcus granulosus	NCK adaptor protein	0.0009	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Trichomonas vaginalis	spcc417.12 protein, putative	0.0118	0.162	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0064	0.0064
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0292	0.4121	0.4121
Brugia malayi	hypothetical protein	0.0118	0.162	0.162
Echinococcus granulosus	tyrosine protein kinase Src64B	0.001	0.0064	0.0064
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0118	0.162	0.162
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.001	0.0064	0.0064
Schistosoma mansoni	choline kinase	0.0028	0.0323	0.0323
Echinococcus multilocularis	choline:ethanolamine kinase	0.0292	0.4121	0.4121
Echinococcus granulosus	tyrosine protein kinase Src42A	0.001	0.0064	0.0064
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0045	0.0045
Toxoplasma gondii	phosphotransferase enzyme family protein	0.0292	0.4121	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0064	0.0064
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0118	0.162	0.162
Brugia malayi	Carboxylesterase family protein	0.0118	0.162	0.162
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0118	0.162	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0701	1	1
Onchocerca volvulus		0.0118	0.162	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Trypanosoma cruzi	choline kinase	0.0028	0.0323	0.5
Echinococcus granulosus	choline:ethanolamine kinase	0.0292	0.4121	0.4121
Schistosoma mansoni	tyrosine kinase	0.001	0.0064	0.0064
Onchocerca volvulus		0.0028	0.0323	0.1997
Leishmania major	choline/ethanolamine kinase, putative	0.0028	0.0323	0.5
Leishmania major	choline kinase	0.0028	0.0323	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0118	0.162	0.162
Schistosoma mansoni	gliotactin	0.0118	0.162	0.162
Echinococcus granulosus	neuroligin	0.0118	0.162	0.162
Entamoeba histolytica	choline/ethanolamine kinase, putative	0.0028	0.0323	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Echinococcus granulosus	para nitrobenzyl esterase	0.0118	0.162	0.162
Brugia malayi	Choline/ethanolamine kinase family protein	0.0028	0.0323	0.0323
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0045	0.0045
Plasmodium falciparum	choline kinase	0.0292	0.4121	1
Loa Loa (eye worm)	carboxylesterase	0.0701	1	1
Trypanosoma cruzi	choline ethanolamine kinase, putative	0.0028	0.0323	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.001	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0045	0.0045
Onchocerca volvulus	Putative choline\/ethanolamine kinase	0.0028	0.0323	0.1997
Echinococcus granulosus	tyrosine protein kinase Lyn	0.001	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Echinococcus granulosus	BC026374 protein S09 family	0.0118	0.162	0.162
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.001	0.0064	0.0064
Echinococcus multilocularis	para nitrobenzyl esterase	0.0118	0.162	0.162
Schistosoma mansoni	tyrosine kinase	0.001	0.0064	0.0064
Loa Loa (eye worm)	choline Kinase A	0.0028	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Mycobacterium ulcerans	carboxylesterase, LipT	0.0118	0.162	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.001	0.0064	0.0064
Schistosoma mansoni	choline/ethanolamine kinase	0.0028	0.0323	0.0323
Echinococcus granulosus	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Schistosoma mansoni	nck2/grb4	0.0009	0.0045	0.0045
Trypanosoma brucei	choline kinase	0.0028	0.0323	0.5
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0064	0.0064
Schistosoma mansoni	choline/ethanolamine kinase	0.0028	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0118	0.162	0.162
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0118	0.162	0.162
Echinococcus multilocularis	acetylcholinesterase	0.0701	1	1
Onchocerca volvulus		0.0118	0.162	1
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0028	0.0323	0.0323
Schistosoma mansoni	acetylcholinesterase	0.0118	0.162	0.162
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Brugia malayi	Choline/ethanolamine kinase family protein	0.0292	0.4121	0.4121
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0045	0.0045
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Echinococcus granulosus	acetylcholinesterase	0.0701	1	1
Brugia malayi	Carboxylesterase family protein	0.0118	0.162	0.162
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.001	0.0064	0.0064
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0064	0.0064
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0118	0.162	1
Schistosoma mansoni	adapter molecule crk	0.0009	0.0045	0.0045
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0064	0.0064
Onchocerca volvulus		0.0118	0.162	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 12500 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)	> 12500 nM	Inhibition of Lck (unknown origin)	ChEMBL.	18271520
IC50 (binding)	> 12500 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)	> 12500 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: CHEMBL29549
PubChem: 21995099

Bibliographic References

2 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 36726