TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.244 | Formula: C16H16Cl2N6
H donors: 2 H acceptors: 3 LogP: 3.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncnc2c1c(nn2C(C)C)c1cc2c([nH]1)cccc2Cl.Cl
InChi: 1S/C16H15ClN6.ClH/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12;/h3-8,21H,1-2H3,(H2,18,19,20);1H
InChiKey: BQDKAGLKDWOFAW-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750

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
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.00493148	0.00510769	0.0494126
Echinococcus multilocularis		0.00415338	0.00148562	0.0143721
Schistosoma mansoni	tyrosine kinase	0.00813536	0.020022	0.189004
Chlamydia trachomatis	protoporphyrinogen oxidase	0.00415338	0.00148562	0.5
Toxoplasma gondii	RNA-directed DNA polymerase	0.0680446	0.298904	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Echinococcus granulosus	epidermal growth factor receptor	0.00813536	0.020022	0.193696
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Schistosoma mansoni	tyrosine kinase	0.0252215	0.0995595	1
Schistosoma mansoni	tyrosine kinase	0.00493148	0.00510769	0.0369321
Echinococcus granulosus	tyrosine kinase	0.00465243	0.0038087	0.0368459
Brugia malayi	SRC-1	0.0054503	0.00752285	0.00885535
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.00465243	0.0038087	0.0368459
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0054503	0.00752285	0.0727773
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0149436	0.0517149	0.500298
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0054503	0.00752285	0.0727773
Echinococcus granulosus	tyrosine protein kinase Src42A	0.00433931	0.00235111	0.022745
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Echinococcus multilocularis	protoporphyrinogen oxidase	0.00415338	0.00148562	0.0143721
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0680446	0.298904	1
Leishmania major	telomerase reverse transcriptase, putative	0.0680446	0.298904	1
Plasmodium falciparum	telomerase reverse transcriptase	0.0680446	0.298904	1
Giardia lamblia	Telomerase catalytic subunit	0.0680446	0.298904	0.5
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0680446	0.298904	1
Schistosoma mansoni	tyrosine kinase	0.0149436	0.0517149	0.512158
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.00493148	0.00510769	0.0494126
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0054503	0.00752285	0.0727773
Loa Loa (eye worm)	hypothetical protein	0.00983693	0.0279429	0.270324
Schistosoma mansoni	tyrosine kinase	0.00782224	0.0185644	0.174142
Echinococcus granulosus	epidermal growth factor receptor	0.0149436	0.0517149	0.500298
Loa Loa (eye worm)	TK/INSR protein kinase	0.00493148	0.00510769	0.0494126
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0260397	0.103368	1
Brugia malayi	Telomerase reverse transcriptase	0.150609	0.683247	1
Trypanosoma brucei	telomerase reverse transcriptase	0.0680446	0.298904	0.5
Echinococcus multilocularis	tyrosine protein kinase Abl	0.011453	0.0354658	0.343102
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.218654	1	1
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Echinococcus granulosus	insulin receptor	0.00493148	0.00510769	0.0494126
Brugia malayi	protein-tyrosine kinase	0.00465243	0.0038087	0.00340747
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0680446	0.298904	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.00465243	0.0038087	0.0368459
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.00813536	0.020022	0.193696
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0260397	0.103368	1
Schistosoma mansoni	tyrosine kinase	0.00782224	0.0185644	0.174142
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0054503	0.00752285	0.0727773
Loa Loa (eye worm)	SRC-1	0.0054503	0.00752285	0.0727773
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis	tyrosine protein kinase Srms	0.00465243	0.0038087	0.0368459
Brugia malayi	Protein kinase domain containing protein	0.00493148	0.00510769	0.00531281
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0054503	0.00752285	0.0727773
Schistosoma mansoni	tyrosine kinase	0.0054503	0.00752285	0.0615581
Echinococcus multilocularis	insulin receptor	0.00493148	0.00510769	0.0494126
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.00415338	0.00148562	0.0143721
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Brugia malayi	Tyrosine-protein kinase abl-1	0.0153846	0.0537678	0.076687
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0054503	0.00752285	0.0727773
Schistosoma mansoni	tyrosine kinase	0.0054503	0.00752285	0.0615581
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Brugia malayi	Tyrosine-protein kinase abl-1	0.011453	0.0354658	0.0498417
Entamoeba histolytica	protein kinase, putative	0.00383425	0	0.5
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0589781	0.256698	1
Schistosoma mansoni	tyrosine kinase	0.00493148	0.00510769	0.0369321
Loa Loa (eye worm)	TK/ABL protein kinase	0.0260397	0.103368	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0149436	0.0517149	0.0736758
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis		0.00455428	0.00335181	0.032426
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.00415338	0.00148562	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.00465243	0.0038087	0.0368459
Loa Loa (eye worm)	TK protein kinase	0.00465243	0.0038087	0.0368459
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.00433931	0.00235111	0.022745
Loa Loa (eye worm)	hypothetical protein	0.00415338	0.00148562	0.0143721
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0054503	0.00752285	0.0727773
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0548247	0.237364	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0054503	0.00752285	0.0727773
Echinococcus multilocularis	epidermal growth factor receptor	0.00813536	0.020022	0.193696
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.00465243	0.0038087	0.0368459
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0054503	0.00752285	0.0727773
Schistosoma mansoni	tyrosine kinase	0.00813536	0.020022	0.189004
Echinococcus multilocularis	epidermal growth factor receptor	0.0149436	0.0517149	0.500298
Echinococcus granulosus	lysine specific histone demethylase 1A	0.00415338	0.00148562	0.0143721
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0589781	0.256698	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.00415338	0.00148562	0.0143721
Schistosoma mansoni	tyrosine kinase	0.00782224	0.0185644	0.174142

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.27 uM	Antiparasitic activity against Toxoplasma gondii grown on human fibroblast layer assessed as inhibition of invasion into fibroblast after 44 hrs by beta-glucosidase assay	ChEMBL.	22320388
IC50 (binding)	= 1.2 uM	Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphor imaging method	ChEMBL.	22320388

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Toxoplasma gondii	ChEMBL23	22320388

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: CHEMBL2069948

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 1661939