TDR Targets

Basic information

Technical information

TDR Targets ID: 178684
Name: N-(2-chloro-6-methylphenyl)-8-(4-methyl-1,4-d iazepan-1-yl)imidazo[1,5-a]quinoxalin-4-amine
MW: 420.938 | Formula: C23H25ClN6
H donors: 1 H acceptors: 2 LogP: 5.36 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCCN(CC1)c1ccc2c(c1)n1cncc1c(n2)Nc1c(C)cccc1Cl
InChi: 1S/C23H25ClN6/c1-16-5-3-6-18(24)22(16)27-23-21-14-25-15-30(21)20-13-17(7-8-19(20)26-23)29-10-4-9-28(2)11-12-29/h3,5-8,13-15H,4,9-12H2,1-2H3,(H,26,27)
InChiKey: HIEYQVDWMVWKRZ-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-chloro-6-methyl-phenyl)-8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,5-a]quinoxalin-4-amine
N-(2-chloro-6-methylphenyl)-8-(4-methyl-1,4-diazepan-1-yl)-4-imidazo[1,5-a]quinoxalinamine
(2-chloro-6-methyl-phenyl)-[8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,5-a]quinoxalin-4-yl]amine
N-(2-chloro-6-methylphenyl)-8-(4-methyl-1,4-diazepan-1-yl)imidazo[5,1-c]quinoxalin-4-amine
N-(2-chloro-6-methyl-phenyl)-8-(4-methyl-1,4-diazepan-1-yl)imidazo[5,1-c]quinoxalin-4-amine
N-(2-chloro-6-methylphenyl)-8-(4-methyl-1,4-diazepan-1-yl)-4-imidazo[5,1-c]quinoxalinamine
(2-chloro-6-methyl-phenyl)-[8-(4-methyl-1,4-diazepan-1-yl)imidazo[5,1-c]quinoxalin-4-yl]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 granulosus	hepatocyte nuclear factor 4 alpha	0.0138	0.2016	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0626	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0138	0.2016	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0238	0.3654	0.3654
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0138	0.2016	1
Onchocerca volvulus		0.0138	0.2016	0.2016
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0138	0.2016	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0034	0.0302	0.4726
Schistosoma mansoni	coup transcription factor	0.0138	0.2016	1
Schistosoma mansoni	thyroid hormone receptor	0.0138	0.2016	1
Trichomonas vaginalis	ubiquitin specific protease, putative	0.0021	0.0101	0.1267
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0138	0.2016	0.2016
Schistosoma mansoni	ubiquitin-specific peptidase 7 (C19 family)	0.0053	0.0613	0.304
Brugia malayi	nuclear hormone receptor	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0234	0.3579	0.3579
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1767	0.1767
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0034	0.0302	0.4726
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0138	0.2016	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0138	0.2016	0.2016
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0123	0.1767	0.8768
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0238	0.3654	0.3654
Loa Loa (eye worm)	steroid hormone receptor	0.0138	0.2016	0.2016
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0138	0.2016	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 7	0.0053	0.0613	0.304
Brugia malayi	nuclear receptor NHR-88	0.0138	0.2016	0.2016
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0123	0.1767	0.8768
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0023	0.0133	0.1815
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0053	0.0613	0.0613
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0138	0.2016	0.2016
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1767	0.1767
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0138	0.2016	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.026	0.026
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0123	0.1767	0.8768
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 7	0.0053	0.0613	0.304
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0138	0.2016	0.2016
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 7	0.0034	0.0306	0.1517
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 7	0.0034	0.0306	0.1517
Echinococcus granulosus	FTZ F1 alpha	0.0138	0.2016	1
Trypanosoma cruzi	ubiquitin hydrolase, putative	0.0052	0.0609	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0138	0.2016	0.2016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0138	0.2016	0.2016
Brugia malayi	nuclear receptor RXR	0.0123	0.1767	0.1767
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0023	0.0133	0.1815
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0138	0.2016	0.2016
Onchocerca volvulus	Protein ultraspiracle homolog	0.0138	0.2016	0.2016
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0138	0.2016	0.2016
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0123	0.1767	0.1767
Schistosoma mansoni	nuclear hormone receptor	0.0138	0.2016	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0138	0.2016	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0138	0.2016	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0138	0.2016	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0138	0.2016	0.2016
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0052	0.0609	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0138	0.2016	0.2016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0138	0.2016	0.2016
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0138	0.2016	0.2016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0138	0.2016	0.2016
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0023	0.0133	0.1815
Brugia malayi	photoreceptor-specific nuclear receptor	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Brugia malayi	Steroid receptor seven-up type 2	0.0138	0.2016	0.2016
Onchocerca volvulus	Bile acid receptor homolog	0.0626	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0059	0.0535
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0138	0.2016	0.2016
Echinococcus multilocularis	FTZ F1 alpha	0.0138	0.2016	1
Brugia malayi	hypothetical protein	0.0123	0.1767	0.1767
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0138	0.2016	0.2016
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0138	0.2016	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0138	0.2016	0.2016
Echinococcus granulosus	ecdysone induced protein 78C	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1767	0.1767
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0138	0.2016	0.2016
Toxoplasma gondii	ubiquitin carboxyl-terminal hydrolase family 2 protein	0.0017	0.0027	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0138	0.2016	0.2016
Brugia malayi	hypothetical protein	0.0123	0.1767	0.1767
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0123	0.1767	0.1767
Echinococcus multilocularis	ecdysone induced protein 78C	0.0138	0.2016	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0052	0.0609	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1767	0.1767
Brugia malayi	steroid hormone receptor	0.0138	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1767	0.1767
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0017	0.0027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0052	0.0609	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0138	0.2016	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2016	0.2016
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase family 2, putative	0.0036	0.0334	0.5
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0034	0.0302	0.4726
Brugia malayi	Nuclear hormone receptor-like 1	0.0123	0.1767	0.1767
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0123	0.1767	0.8768
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0053	0.0613	0.0613
Schistosoma mansoni	thyroid hormone receptor	0.0138	0.2016	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0138	0.2016	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0138	0.2016	0.2016

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9 nM	50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.	ChEMBL.	12372522
IC50 (binding)	= 9 nM	Inhibition of Lck (unknown origin)	ChEMBL.	18271520
IC50 (binding)	= 9 nM	50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.	ChEMBL.	12372522
IC50 (binding)	= 9 nM	Inhibition of Lck (unknown origin)	ChEMBL.	18271520
IC50 (functional)	= 540 nM	50% inhibition of T-cell proliferation induced by anti-CD3/anti-CD28 co-stimulation in human peripheral blood leukocytes (PBLs).	ChEMBL.	12372522
IC50 (functional)	= 540 nM	Inhibition of T cell proliferation (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: CHEMBL110783
PubChem: 21994709

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 178684