TDR Targets

Basic information

Technical information

TDR Targets ID: 188763
Name: 2-(2,6-dichloroanilino)-6,6-dimethyl-7,8-dihy dro-3H-imidazo[4,5-h]isoquinolin-9-one
MW: 375.252 | Formula: C18H16Cl2N4O
H donors: 3 H acceptors: 2 LogP: 4.8 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCC(c2c1c1nc([nH]c1cc2)Nc1c(Cl)cccc1Cl)(C)C
InChi: 1S/C18H16Cl2N4O/c1-18(2)8-21-16(25)13-9(18)6-7-12-15(13)24-17(22-12)23-14-10(19)4-3-5-11(14)20/h3-7H,8H2,1-2H3,(H,21,25)(H2,22,23,24)
InChiKey: RUKBZYBYQIXMNG-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

2-[(2,6-dichlorophenyl)amino]-6,6-dimethyl-7,8-dihydro-3H-imidazo[4,5-h]isoquinolin-9-one
2-[(2,6-dichlorophenyl)amino]-6,6-dimethyl-7,8-dihydro-3H-pyrido[3,4-e]benzimidazol-9-one

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
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0178	0	0.5
Toxoplasma gondii	protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0187	0.0008	0.0008
Schistosoma mansoni	tyrosine kinase	0.0187	0.0008	0.0008
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0187	0.0008	0.0008
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0183	0.0004	0.0004
Brugia malayi	Protein kinase domain containing protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	hypothetical protein	1.0931	0.9837	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0187	0.0008	0.0008
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0187	0.0008	0.0008
Trichomonas vaginalis	CAMK family protein kinase	0.0178	0	0.5
Onchocerca volvulus		0.0183	0.0004	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	1.0931	0.9837	1
Onchocerca volvulus		0.0183	0.0004	1
Plasmodium falciparum	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trypanosoma cruzi	protein kinase, putative	0.0178	0	0.5
Giardia lamblia	Kinase, NEK	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Brugia malayi	Tyrosine-protein kinase abl-1	0.0187	0.0008	0.0008
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	1.0931	0.9837	1
Brugia malayi	Protein kinase domain containing protein	1.0931	0.9837	1
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0183	0.0004	0.0004
Plasmodium falciparum	tyrosine kinase-like protein	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0187	0.0008	0.0008
Echinococcus granulosus	tyrosine protein kinase Srms	0.0183	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0183	0.0004	0.0004
Toxoplasma gondii	protein kinase domain-containing protein	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase shark	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0178	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0187	0.0008	0.0008
Plasmodium falciparum	tyrosine kinase-like protein	0.0178	0	0.5
Echinococcus granulosus	tyrosine kinase	0.0183	0.0004	0.0004
Echinococcus multilocularis	tyrosine kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Loa Loa (eye worm)	hypothetical protein	1.0931	0.9837	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Brugia malayi	Protein kinase domain containing protein	0.0183	0.0004	0.0004
Onchocerca volvulus		0.0183	0.0004	1
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0187	0.0008	0.0008
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0187	0.0008	0.0008
Echinococcus granulosus	tyrosine kinase	0.0183	0.0004	0.0004
Brugia malayi	SH2 domain containing protein	0.0183	0.0004	0.0004
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0187	0.0008	0.0008
Onchocerca volvulus		0.0183	0.0004	1
Onchocerca volvulus		0.0183	0.0004	1
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0178	0	0.5
Giardia lamblia	Kinase	0.0178	0	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0187	0.0008	0.0008
Trypanosoma brucei	Pseudokinase, putative	0.0178	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0183	0.0004	0.0004
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0183	0.0004	0.0004
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0183	0.0004	0.0004
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Toxoplasma gondii	STE kinase	0.0178	0	0.5
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	1.0931	0.9837	1
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Giardia lamblia	Kinase, NEK	0.0178	0	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0187	0.0008	0.0008
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Leishmania major	protein kinase, putative	0.0178	0	0.5
Brugia malayi	protein-tyrosine kinase	0.0183	0.0004	0.0004
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Trichomonas vaginalis	protein kinase atn1, putative	0.0178	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Loa Loa (eye worm)	SRC-1	0.0187	0.0008	0.0008
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Onchocerca volvulus		0.0183	0.0004	1
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0178	0	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0183	0.0004	0.0004
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0183	0.0004	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Leishmania major	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Echinococcus granulosus	tyrosine protein kinase shark	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Brugia malayi	SH2 domain containing protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	TK family protein kinase	0.0178	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0187	0.0008	0.0008
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0178	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Brugia malayi	SRC-1	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0178	0	0.5
Brugia malayi	hypothetical protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trypanosoma brucei	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Giardia lamblia	Protein 21.1	0.0178	0	0.5
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Leishmania major	hypothetical protein, conserved	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0183	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0187	0.0008	0.0008
Plasmodium falciparum	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0187	0.0008	0.0008
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0178	0	0.5
Plasmodium vivax	protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0187	0.0008	0.0008
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0183	0.0004	0.0004
Trichomonas vaginalis	TKL family protein kinase	0.0178	0	0.5
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0178	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0178	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 5.2 uM	Inhibition of calcium release in Jurkat cells	ChEMBL.	12139450
EC50 (functional)	= 5.2 uM	Inhibition of calcium release in Jurkat cells	ChEMBL.	12139450
IC50 (binding)	= 1.1 uM	Inhibitory activity against recombinant human p56 Lck tyrosine kinase	ChEMBL.	12139450
IC50 (binding)	= 1.1 uM	Inhibitory activity against recombinant human p56 Lck tyrosine kinase	ChEMBL.	12139450

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12139450

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: CHEMBL115548
PubChem: 11760559

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.

Detailed information for compound 188763