TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 247.295 | Formula: C16H13N3
H donors: 2 H acceptors: 1 LogP: 3.74 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)c(n[nH]2)c1cc2c([nH]1)cccc2
InChi: 1S/C16H13N3/c1-10-6-7-14-12(8-10)16(19-18-14)15-9-11-4-2-3-5-13(11)17-15/h2-9,17H,1H3,(H,18,19)
InChiKey: ZNURMGKAMGVZCB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	IL2-inducible T-cell kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K07370 Bruton agammaglobulinemia tyrosine kinase, putative	Get druggable targets OG5_129320	All targets in OG5_129320
Schistosoma japonicum	Tyrosine-protein kinase BTK, putative	Get druggable targets OG5_129320	All targets in OG5_129320
Echinococcus granulosus	tyrosine protein kinase Btk29A	Get druggable targets OG5_129320	All targets in OG5_129320
Echinococcus multilocularis	tyrosine protein kinase Btk29A	Get druggable targets OG5_129320	All targets in OG5_129320
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129320	All targets in OG5_129320

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
Brugia malayi	hypothetical protein	0.0032	0.1693	0.4328
Brugia malayi	conserved hypotetical protein	0.0032	0.1693	0.4328
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0032	0.1693	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Loa Loa (eye worm)	DR-78	0.0032	0.1693	0.4328
Brugia malayi	Nuclear hormone receptor E75	0.0032	0.1693	0.4328
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0032	0.1693	0.1626
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0167	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Onchocerca volvulus	Protein ultraspiracle homolog	0.0068	0.3911	1
Schistosoma mansoni	thyroid hormone receptor	0.0068	0.3911	0.3984
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0068	0.3911	0.3862
Brugia malayi	Tyrosine-protein kinase abl-1	0.0007	0.0133	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Brugia malayi	ecdysone receptor	0.0032	0.1693	0.4328
Brugia malayi	nuclear receptor NHR-88	0.0032	0.1693	0.4328
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0068	0.3911	0.3984
Schistosoma mansoni	nuclear receptor	0.0032	0.1693	0.1724
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0006	0.008	0.0082
Echinococcus multilocularis	nuclear receptor nhr 48	0.0032	0.1693	0.1626
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0007	0.0133	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0032	0.1693	0.1626
Brugia malayi	nuclear receptor RXR	0.0032	0.1693	0.4328
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0068	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0068	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0068	0.3911	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0068	0.3911	0.3984
Brugia malayi	hypothetical protein	0.0036	0.193	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Schistosoma mansoni	adapter molecule crk	0.0006	0.008	0.0082
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.1693	0.1724
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0068	0.3911	0.3862
Schistosoma mansoni	growth factor receptor-bound protein	0.0006	0.008	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0068	0.3911	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0006	0.008	0.0205
Schistosoma mansoni	tyrosine kinase	0.0007	0.0133	0.0135
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Brugia malayi	Sex muscle abnormal protein 5	0.0006	0.008	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Brugia malayi	Nuclear hormone receptor E75	0.0032	0.1693	0.4328
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0068	0.3911	1
Brugia malayi	nuclear hormone receptor	0.0068	0.3911	1
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.008	0.0205
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0068	0.3911	0.3984
Echinococcus granulosus	thyroid hormone receptor alpha	0.0032	0.1693	0.1626
Schistosoma mansoni	nck2/grb4	0.0006	0.008	0.0082
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0007	0.0133	0.0135
Brugia malayi	ecdysteroid receptor	0.0068	0.3911	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0006	0.008	0.0205
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0032	0.1693	0.4328
Echinococcus granulosus	FTZ F1 alpha	0.0068	0.3911	0.3862
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0068	0.3911	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0068	0.3911	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0068	0.3911	1
Brugia malayi	nuclear hormone receptor	0.0032	0.1693	0.4328
Echinococcus multilocularis	FTZ F1 alpha	0.0068	0.3911	0.3862
Loa Loa (eye worm)	SRC-1	0.0007	0.0133	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0036	0.193	0.4935
Brugia malayi	Nuclear hormone receptor-like 1	0.0068	0.3911	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0036	0.193	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0036	0.193	0.4935
Echinococcus granulosus	nuclear receptor nhr 48	0.0032	0.1693	0.1626
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0068	0.3911	1
Brugia malayi	tailless protein	0.0032	0.1693	0.4328
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0007	0.0133	0.0053
Schistosoma mansoni	zinc finger protein	0.0032	0.1693	0.1724
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.1693	0.1626
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0068	0.3911	0.3862
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0032	0.1693	0.1626
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.1693	0.1724
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0007	0.0133	0.0053
Schistosoma mansoni	tyrosine kinase	0.0007	0.0133	0.0135
Echinococcus granulosus	c src tyrosine kinase	0.0007	0.0133	0.0053
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0068	0.3911	0.3862
Schistosoma mansoni	coup transcription factor	0.0068	0.3911	0.3984
Schistosoma mansoni	thyroid hormone receptor	0.0068	0.3911	0.3984
Schistosoma mansoni	tyrosine kinase	0.0007	0.0133	0.0135
Echinococcus multilocularis	ecdysone induced protein 78C	0.0068	0.3911	0.3862
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0068	0.3911	0.3862
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0032	0.1693	0.1626
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0036	0.193	0.1865
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0007	0.0133	0.0053
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0068	0.3911	0.3862
Onchocerca volvulus	Bile acid receptor homolog	0.0068	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0068	0.3911	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0068	0.3911	0.3862
Brugia malayi	Nuclear hormone receptor-like 1	0.0036	0.193	0.4935
Brugia malayi	nuclear receptor NHR-88	0.0068	0.3911	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0032	0.1693	0.1724
Brugia malayi	Nuclear hormone receptor-like 1	0.0036	0.193	0.4935
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0007	0.0133	0.0053
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0032	0.1693	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Onchocerca volvulus		0.0068	0.3911	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0032	0.1693	0.1724
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0032	0.1693	0.4328
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0036	0.193	0.1966
Brugia malayi	SRC-1	0.0007	0.0133	0.0339
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0068	0.3911	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.008	0.0205
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0068	0.3911	1
Schistosoma mansoni	nuclear receptor	0.0032	0.1693	0.1724
Schistosoma mansoni	growth factor receptor-bound protein	0.0006	0.008	0.0082
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0032	0.1693	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0036	0.193	0.4935
Brugia malayi	nuclear receptor NHR-67	0.0032	0.1693	0.4328
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0007	0.0133	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0007	0.0133	0.0053
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.1693	0.1626
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0036	0.193	0.1966
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.008	0.0205
Brugia malayi	steroid hormone receptor	0.0068	0.3911	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0007	0.0133	0.0053
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0032	0.1693	0.4328
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0068	0.3911	0.3862
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0068	0.3911	0.3862
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0068	0.3911	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0007	0.0133	0.0053
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0068	0.3911	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0068	0.3911	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0032	0.1693	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0036	0.193	0.4935
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0036	0.193	0.1865
Loa Loa (eye worm)	steroid hormone receptor	0.0068	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0068	0.3911	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0068	0.3911	0.3862
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0068	0.3911	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0068	0.3911	0.3862
Brugia malayi	nuclear hormone receptor family member odr-7	0.0032	0.1693	0.4328
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0068	0.3911	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0036	0.193	0.4935
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0032	0.1693	0.1626
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0007	0.0133	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0032	0.1693	0.4328
Schistosoma mansoni	nuclear hormone receptor	0.0068	0.3911	0.3984
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0068	0.3911	0.3862
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0068	0.3911	1
Brugia malayi	hypothetical protein	0.0036	0.193	0.4935
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0068	0.3911	0.3862
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0068	0.3911	0.3984
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0068	0.3911	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0068	0.3911	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0068	0.3911	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus multilocularis	c src tyrosine kinase	0.0007	0.0133	0.0053
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0068	0.3911	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0068	0.3911	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0007	0.0133	0.0053
Brugia malayi	hypothetical protein	0.0032	0.1693	0.4328
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0068	0.3911	0.3862
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Schistosoma mansoni	RAR-like nuclear receptor	0.0068	0.3911	0.3984
Schistosoma mansoni	tyrosine kinase	0.0007	0.0133	0.0135
Brugia malayi	nuclear receptor RXR	0.0036	0.193	0.4935
Schistosoma mansoni	nuclear receptor nhr-48	0.0032	0.1693	0.1724
Brugia malayi	Steroid receptor seven-up type 2	0.0068	0.3911	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0068	0.3911	0.3984
Echinococcus granulosus	ecdysone induced protein 78C	0.0068	0.3911	0.3862
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0068	0.3911	1
Schistosoma mansoni	tyrosine kinase	0.0164	0.9818	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0007	0.0133	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1693	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3911	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0007	0.0133	0.0053

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.25 uM	Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay	ChEMBL.	20965724

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: CHEMBL1288316

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 1268124