TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 306.362 | Formula: C18H18N4O
H donors: 1 H acceptors: 4 LogP: 2.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1nnc2c(n1)c(C)cc(c2)c1c(C)cccc1C
InChi: 1S/C18H18N4O/c1-10-6-5-7-11(2)16(10)14-8-12(3)17-15(9-14)21-22-18(20-17)19-13(4)23/h5-9H,1-4H3,(H,19,20,22,23)
InChiKey: KVHBEIUIQQKMED-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	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	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
Entamoeba histolytica	protein kinase, 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
Brugia malayi	SRC-1	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 Lyn	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
Brugia malayi	protein-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 protein kinase Src64B	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 granulosus	tyrosine protein kinase Src42A	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
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	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 granulosus	tyrosine protein kinase HCK	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
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	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 multilocularis	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
Echinococcus multilocularis	tyrosine protein kinase Fyn	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 Srms	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	proto oncogene tyrosine protein kinase LCK	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
Echinococcus granulosus	tyrosine kinase	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
Schistosoma mansoni	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 multilocularis	tyrosine protein kinase Src64B	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 granulosus	proto oncogene tyrosine protein kinase LCK	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	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

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	TRABID protein (C64 family)	0.0043	0.3043	0.3043
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0122	1	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.3241	0.3241
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.2847	0.2847
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Loa Loa (eye worm)	brahma associated protein	0.0122	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.3241	0.3241
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.3043	0.5
Leishmania major	hypothetical protein, conserved	0.0043	0.3043	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0122	1	0.5
Loa Loa (eye worm)	TK protein kinase	0.0036	0.2444	0.2444
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0113	0.0113
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.3241	0.3241
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0043	0.3043	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0122	1	1
Brugia malayi	brahma associated protein 60 kDa	0.0122	1	1
Echinococcus granulosus	tyrosine kinase	0.0041	0.2847	0.2847
Echinococcus granulosus	zinc finger protein Ran binding	0.0043	0.3043	0.3043
Loa Loa (eye worm)	SRC-1	0.0045	0.3241	0.3241
Onchocerca volvulus		0.0122	1	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0043	0.3043	0.3043
Echinococcus multilocularis	SWI:SNF matrix associated	0.0122	1	1
Schistosoma mansoni	RNA binding protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0043	0.3043	0.3043
Brugia malayi	YY1-associated factor 2	0.0043	0.3043	0.3043
Loa Loa (eye worm)	hypothetical protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.3241	0.3241
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0122	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.3043	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0113	0.0113
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0043	0.3043	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.2734	0.2734
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.3241	0.3241
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.2847	0.2847
Schistosoma mansoni	tyrosine kinase	0.001	0.0113	0.0113
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0043	0.3043	0.5
Chlamydia trachomatis	DNA topoisomerase I	0.0122	1	0.5
Echinococcus granulosus	ring and YY1 binding protein	0.0043	0.3043	0.3043
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0122	1	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0122	1	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0122	1	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0043	0.3043	0.3043
Echinococcus multilocularis	SWI:SNF matrix associated	0.0122	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0113	0.0113
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.3241	0.3241
Loa Loa (eye worm)	hypothetical protein	0.0043	0.3043	0.3043
Brugia malayi	SWIB/MDM2 domain containing protein	0.0122	1	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0043	0.3043	0.3043
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.2444	0.2444
Schistosoma mansoni	tyrosine kinase	0.0045	0.3241	0.3241
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.2734	0.2734
Chlamydia trachomatis	SWIB complex protein	0.0122	1	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.2847	0.2847
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0043	0.3043	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0113	0.0113
Schistosoma mansoni	hypothetical protein	0.0122	1	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0043	0.3043	0.3043
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0043	0.3043	0.5
Loa Loa (eye worm)	TK protein kinase	0.0041	0.2847	0.2847
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0122	1	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.3241	0.3241
Echinococcus multilocularis	SWI:SNF matrix associated	0.0122	1	1
Leishmania major	hypothetical protein, conserved	0.0043	0.3043	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0043	0.3043	0.5
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.3241	0.3241
Schistosoma mansoni	hypothetical protein	0.0122	1	1
Leishmania major	hypothetical protein, conserved	0.0043	0.3043	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.2847	0.2847
Leishmania major	hypothetical protein, conserved	0.0043	0.3043	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.3241	0.3241
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Schistosoma mansoni	fusion	0.0043	0.3043	0.3043
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0113	0.0113
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.2444	0.2444
Trypanosoma cruzi	WLM domain containing protein, putative	0.0043	0.3043	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Brugia malayi	protein-tyrosine kinase	0.0041	0.2847	0.2847
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0043	0.3043	0.3043
Entamoeba histolytica	protein kinase, putative	0.0036	0.2444	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.3043	0.5
Schistosoma mansoni	brg-1 associated factor	0.0122	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.3043	0.3043
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.3043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0113	0.0113
Leishmania major	hypothetical protein, conserved	0.0043	0.3043	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0043	0.3043	0.3043
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.3241	0.3241
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.3241	0.3241
Schistosoma mansoni	tyrosine kinase	0.0045	0.3241	0.3241
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0043	0.3043	0.3043
Schistosoma mansoni	tyrosine kinase	0.001	0.0113	0.0113
Schistosoma mansoni	zinc finger protein	0.0043	0.3043	0.3043
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0043	0.3043	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0043	0.3043	0.3043
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0043	0.3043	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0122	1	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0122	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0122	1	1
Schistosoma mansoni	hypothetical protein	0.0122	1	1
Schistosoma mansoni	hypothetical protein	0.0043	0.3043	0.3043
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.3241	0.3241
Brugia malayi	SRC-1	0.0045	0.3241	0.3241
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.2847	0.2847
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.3043	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000 nM	Luciferase-Based Assay	BINDINGDB.	No reference
IC50 (binding)	> 10000 nM	Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by luciferase-based assay	PATENT.	No reference
IC50 (binding)	> 50 uM	Inhibition of human recombinant Src kinase	ChEMBL.	16931012
IC50 (binding)	> 50 uM	Inhibition of human recombinant Src kinase	ChEMBL.	16931012

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: CHEMBL221739

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 412849