TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 316.357 | Formula: C19H16N4O
H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1cnc(c2n1cnc2)Nc1ccccc1
InChi: 1S/C19H16N4O/c1-24-16-9-7-14(8-10-16)17-12-21-19(18-11-20-13-23(17)18)22-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)
InChiKey: QBVUXKPVKANWMG-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 Src64B	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
Loa Loa (eye worm)	SRC-1	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
Brugia malayi	protein-tyrosine kinase	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 multilocularis	tyrosine protein kinase Blk	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 granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	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
Loa Loa (eye worm)	TK protein 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
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 multilocularis	tyrosine protein kinase HCK	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
Schistosoma mansoni	tyrosine kinase	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 Src64B	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 Src42A	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 Src42A	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
Loa Loa (eye worm)	TK protein kinase	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
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	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 granulosus	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 FYN, putative	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 Blk	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 Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	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 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

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 multilocularis	tyrosine protein kinase Src42A	0.0045	0.0182	0.0669
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0182	0.0669
Echinococcus granulosus	carbonic anhydrase	0.0107	0.0828	0.304
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.0611	0.2245
Echinococcus multilocularis	carbonic anhydrase II	0.0289	0.2723	1
Loa Loa (eye worm)	SRC-1	0.0045	0.0182	0.0669
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Onchocerca volvulus	Peroxidase homolog	0.0087	0.0611	0.3463
Loa Loa (eye worm)	carbonic anhydrase 3	0.0289	0.2723	1
Schistosoma mansoni	peroxidasin	0.0087	0.0611	0.2245
Onchocerca volvulus		0.0087	0.0611	0.3463
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0089	0.0325
Schistosoma mansoni	carbonic anhydrase	0.0107	0.0828	0.304
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.0611	0.2245
Brugia malayi	protein-tyrosine kinase	0.0041	0.0136	0.0499
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0107	0.0828	0.304
Echinococcus multilocularis	peroxidasin	0.0087	0.0611	0.2245
Echinococcus multilocularis	carbonic anhydrase	0.0107	0.0828	0.304
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0289	0.2723	1
Schistosoma mansoni	tyrosine kinase	0.0045	0.0182	0.0669
Trichomonas vaginalis	conserved hypothetical protein	0.0987	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0123	0.0451
Giardia lamblia	High cysteine protein	0.0028	0	0.5
Trypanosoma brucei	carbonic anhydrase-like protein	0.0289	0.2723	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0107	0.0828	0.304
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.0611	0.2245
Onchocerca volvulus		0.0087	0.0611	0.3463
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0089	0.0325
Plasmodium vivax	sulfate transporter, putative	0.0031	0.0036	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0136	0.0499
Onchocerca volvulus	Peroxidasin homolog	0.0087	0.0611	0.3463
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0182	0.0669
Schistosoma mansoni	peroxidasin	0.0087	0.0611	0.2245
Plasmodium falciparum	carbonic anhydrase	0.0107	0.0828	1
Brugia malayi	hypothetical protein	0.0087	0.0611	0.2245
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0107	0.0828	0.304
Toxoplasma gondii	hypothetical protein	0.0107	0.0828	1
Brugia malayi	SRC-1	0.0045	0.0182	0.0669
Brugia malayi	Blistered cuticle protein 3	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0136	0.0499
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0182	0.0669
Onchocerca volvulus	Chorion peroxidase homolog	0.0087	0.0611	0.3463
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0289	0.2723	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0182	0.0669
Echinococcus granulosus	peroxidasin	0.0087	0.0611	0.2245
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0136	0.0499
Onchocerca volvulus	Dual oxidase homolog	0.0087	0.0611	0.3463
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0031	0.0036	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Echinococcus granulosus	tyrosine kinase	0.0041	0.0136	0.0499
Brugia malayi	Peroxidasin	0.0087	0.0611	0.2245
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0123	0.0451
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.0611	0.2245
Schistosoma mansoni	carbonic anhydrase-related	0.0107	0.0828	0.304
Echinococcus granulosus	carbonic anhydrase	0.0107	0.0828	0.304
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.0611	0.2245
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0289	0.2723	1
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0276	0.258	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Schistosoma mansoni	carbonic anhydrase-related	0.0107	0.0828	0.304
Mycobacterium ulcerans	carbonic anhydrase	0.0048	0.0205	0.0169
Leishmania major	carbonic anhydrase-like protein	0.0289	0.2723	1
Onchocerca volvulus		0.0087	0.0611	0.3463
Loa Loa (eye worm)	blistered cuticle protein 3	0.0087	0.0611	0.2245
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0182	0.0669
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0107	0.0828	0.304
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0289	0.2723	1
Schistosoma mansoni	carbonic anhydrase	0.0048	0.0205	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0828	0.304
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0136	0.0499
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0828	0.304
Trichomonas vaginalis	conserved hypothetical protein	0.0987	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Onchocerca volvulus	Peroxidase homolog	0.0087	0.0611	0.3463
Schistosoma mansoni	hypothetical protein	0.0107	0.0828	0.304
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0182	0.0669
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0289	0.2723	1
Schistosoma mansoni	carbonic anhydrase-related	0.0107	0.0828	0.304
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0107	0.0828	0.304
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0136	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0089	0.0325
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0182	0.0669
Echinococcus multilocularis	carbonic anhydrase	0.0107	0.0828	0.304
Echinococcus granulosus	carbonic anhydrase II	0.0289	0.2723	1
Echinococcus multilocularis	carbonic anhydrase	0.0107	0.0828	0.304
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0828	0.304
Mycobacterium leprae	Probable transmembrane transport protein	0.0228	0.2084	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Onchocerca volvulus	Putative sulfate transporter	0.0197	0.1765	1
Echinococcus granulosus	carbonic anhydrase	0.0107	0.0828	0.304
Entamoeba histolytica	carbonic anhydrase, putative	0.0048	0.0205	1
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0182	0.0669
Onchocerca volvulus	Peroxidasin homolog	0.0087	0.0611	0.3463
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0182	0.0669
Chlamydia trachomatis	sulfate transporter	0.0031	0.0036	0.5
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0107	0.0828	0.304
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0182	0.0669
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.094	0.9504	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0182	0.0669
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.0611	0.2245
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0136	0.0499
Schistosoma mansoni	tyrosine kinase	0.0045	0.0182	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0611	0.2245
Onchocerca volvulus		0.0197	0.1765	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0289	0.2723	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0289	0.2723	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.7 uM	Inhibition of cSrc by coupled spectrophotometric enzyme assay	ChEMBL.	17095233
IC50 (binding)	= 3.7 uM	Inhibition of cSrc by coupled spectrophotometric enzyme assay	ChEMBL.	17095233
Inhibition (binding)		Inhibition of cSrc in COS7 cells at 1 uM by ELISA	ChEMBL.	17095233
Inhibition (binding)	0	Inhibition of cSrc in COS7 cells at 1 uM by ELISA	ChEMBL.	17095233

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: CHEMBL390957

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 420288