TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.231 | Formula: C19H12Cl2N4O
H donors: 2 H acceptors: 4 LogP: 5.02 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)Nc1nnc2c(n1)ccc(c2)c1c(Cl)cccc1Cl
InChi: 1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)11-4-9-16-17(10-11)24-25-19(23-16)22-12-5-7-13(26)8-6-12/h1-10,26H,(H,22,23,25)
InChiKey: RERCSHBOJZUUMN-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	YES proto-oncogene 1, Src family tyrosine kinase	Starlite/ChEMBL	No references
Homo sapiens	EPH receptor B4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K08892 fyn-related kinase, 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
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 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 multilocularis	tyrosine protein kinase Srms	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 protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	ephrin type A receptor 4 A	Get druggable targets OG5_126715	All targets in OG5_126715
Onchocerca volvulus		Get druggable targets OG5_126715	All targets in OG5_126715
Loa Loa (eye worm)	TK protein 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
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	ephrin receptor 1 precursor	Get druggable targets OG5_126715	All targets in OG5_126715
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 multilocularis	tyrosine protein kinase Src42A	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	proto oncogene tyrosine protein kinase LCK	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
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	ephrin receptor	Get druggable targets OG5_126715	All targets in OG5_126715
Loa Loa (eye worm)	TK protein 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
Schistosoma japonicum	ko:K05109 Eph receptor A8, putative	Get druggable targets OG5_126715	All targets in OG5_126715
Echinococcus granulosus	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, 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
Loa Loa (eye worm)	SRC-1	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 Lyn	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 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
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126715	All targets in OG5_126715
Loa Loa (eye worm)	TK/EPH protein kinase	Get druggable targets OG5_126715	All targets in OG5_126715
Brugia malayi	protein-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
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126715	All targets in OG5_126715
Echinococcus multilocularis	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 Fyn	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	ephrin type A receptor 4 A	Get druggable targets OG5_126715	All targets in OG5_126715

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	0.0046	0.1567	0.1637
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0066	0.0037
Echinococcus granulosus	endonuclease reverse transcriptase	0.0016	0.0309	0.0296
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0249	0.7531
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0008	0	0.5
Onchocerca volvulus		0.0016	0.0309	0.0168
Echinococcus granulosus	tyrosine kinase	0.0042	0.1384	0.1442
Schistosoma mansoni	hypothetical protein	0.0251	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0066	0.5
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.01	0.3807	1
Echinococcus granulosus	conserved hypothetical protein	0.0014	0.0249	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0309	0.08
Loa Loa (eye worm)	TK protein kinase	0.0042	0.1384	0.3628
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0046	0.1567	0.1637
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0032	0.0071
Entamoeba histolytica	cysteine-rich surface protein, putative	0.0016	0.0309	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0309	0.08
Plasmodium falciparum	cysteine repeat modular protein 3	0.0016	0.0309	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0249	0.0249
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0046	0.1567	0.1637
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0249	0.0643
Brugia malayi	SRC-1	0.0046	0.1567	0.4109
Schistosoma mansoni	ABC transporter	0.0008	0.0005	0.0005
Schistosoma mansoni	tyrosine kinase	0.0011	0.0114	0.0114
Toxoplasma gondii	kringle domain-containing protein	0.0016	0.0309	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0249	0.0643
Brugia malayi	GCC2 and GCC3 family protein	0.0016	0.0309	0.08
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0084	0.3111	0.3282
Plasmodium vivax	cysteine repeat modular protein 3, putative	0.0016	0.0309	1
Loa Loa (eye worm)	SRC-1	0.0046	0.1567	0.4109
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0046	0.1567	0.1637
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0236	0.9412	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0066	0.5
Onchocerca volvulus		0.0066	0.238	0.599
Schistosoma mansoni	tyrosine kinase	0.0046	0.1567	0.1567
Giardia lamblia	Hypothetical protein	0.0016	0.0309	1
Schistosoma mansoni	adapter molecule crk	0.0009	0.0032	0.0032
Brugia malayi	ephrin receptor 1 precursor	0.0033	0.1025	0.2684
Schistosoma mansoni	nck2/grb4	0.0009	0.0032	0.0032
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0046	0.1567	0.1637
Entamoeba histolytica	protein kinase, putative	0.0037	0.1197	1
Brugia malayi	protein-tyrosine kinase	0.0042	0.1384	0.3628
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0249	0.7531
Echinococcus multilocularis	endonuclease reverse transcriptase	0.0016	0.0309	0.0296
Echinococcus multilocularis	c src tyrosine kinase	0.0011	0.0114	0.0088
Trypanosoma brucei	ABC transporter, putative	0.001	0.0066	0.5
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0066	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0309	0.08
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.1302	0.1354
Toxoplasma gondii	zinc finger CDGSH-type domain-containing protein	0.0014	0.0249	0.7531
Toxoplasma gondii	hypothetical protein	0.0016	0.0309	1
Plasmodium falciparum	conserved protein, unknown function	0.0016	0.0309	1
Plasmodium falciparum	cysteine repeat modular protein 4	0.0016	0.0309	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0011	0.0114	0.0088
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0046	0.1567	0.1637
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0032	0.0032
Schistosoma mansoni	tyrosine kinase	0.0046	0.1567	0.1567
Entamoeba histolytica	protein kinase, putative	0.0016	0.0309	0.2147
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0011	0.0114	0.0114
Schistosoma mansoni	ephrin receptor	0.0068	0.2463	0.2463
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0037	0.1197	0.1242
Onchocerca volvulus		0.0016	0.0309	0.0168
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0011	0.0114	0.0088
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0046	0.1567	0.1637
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0016	0.0309	1
Onchocerca volvulus		0.01	0.3807	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0042	0.1384	0.1442
Entamoeba histolytica	hypothetical protein	0.0016	0.0309	0.2147
Loa Loa (eye worm)	hypothetical protein	0.01	0.3807	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0046	0.1567	0.1637
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0014	0.0249	0.7531
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.001	0.0066	0.0066
Echinococcus granulosus	tyrosine protein kinase HCK	0.0037	0.1197	0.1242
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0032	0.0071
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0046	0.1567	0.1637
Plasmodium vivax	hypothetical protein, conserved	0.0016	0.0309	1
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0032	0.0071
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.1302	0.1354
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0032	0.0071
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0042	0.1384	0.1442
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.001	0.0066	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0309	0.08
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0066	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0032	0.0071
Brugia malayi	RE40412p	0.0014	0.0249	0.0643
Schistosoma mansoni	hypothetical protein	0.0016	0.0309	0.0309
Toxoplasma gondii	zinc finger cdgsh type protein	0.0014	0.0249	0.7531
Giardia lamblia	CEGP1 protein	0.0016	0.0309	1
Plasmodium falciparum	cysteine repeat modular protein 2	0.0016	0.0309	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Plasmodium vivax	cysteine repeat modular protein 2, putative	0.0016	0.0309	1
Brugia malayi	GCC2 and GCC3 family protein	0.0016	0.0309	0.08
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0066	0.0037
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0011	0.0114	0.0088
Entamoeba histolytica	hypothetical protein	0.0016	0.0309	0.2147
Plasmodium falciparum	cysteine repeat modular protein 1	0.0016	0.0309	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Brugia malayi	Tyrosine-protein kinase abl-1	0.0011	0.0114	0.0289
Schistosoma mansoni	tyrosine kinase	0.0011	0.0114	0.0114
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0046	0.1567	0.1637
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0042	0.1384	0.1442
Echinococcus multilocularis	conserved hypothetical protein	0.0014	0.0249	0.0232
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0249	0.7531
Entamoeba histolytica	hypothetical protein, conserved	0.0016	0.0309	0.2147
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0066	0.0037
Echinococcus granulosus	ephrin type A receptor 4 A	0.0084	0.3111	0.3282
Brugia malayi	GCC2 and GCC3 family protein	0.0016	0.0309	0.08
Loa Loa (eye worm)	TK protein kinase	0.0037	0.1197	0.3135
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0032	0.0071
Brugia malayi	GCC2 and GCC3 family protein	0.0016	0.0309	0.08
Loa Loa (eye worm)	TK/EPH protein kinase	0.0086	0.3208	0.8425
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0014	0.0249	0.7531
Plasmodium vivax	hypothetical protein, conserved	0.0016	0.0309	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0046	0.1567	0.1637
Plasmodium falciparum	CDGSH iron-sulfur domain-containing protein, putative	0.0014	0.0249	0.7531
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0032	0.0032
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1045	0.2736
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0066	0.0037
Echinococcus granulosus	c src tyrosine kinase	0.0011	0.0114	0.0088
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.1567	0.1637
Toxoplasma gondii	GCC2 and GCC3 domain-containing protein	0.0016	0.0309	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.238	0.6247
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0236	0.9412	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.1384	0.1442
Brugia malayi	RE40412p	0.0014	0.0249	0.0643
Trypanosoma cruzi	ABC transporter, putative	0.001	0.0066	0.5
Toxoplasma gondii	PfMNL-2 CISD1 family iron-sulfur protein, putative	0.0014	0.0249	0.7531
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0066	0.0037
Leishmania major	hypothetical protein, unknown function	0.0014	0.0249	1
Trypanosoma brucei	ATP-binding cassette protein, putative	0.001	0.0066	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0042	0.1384	0.1442

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 465 nM	Luciferase-Based Assay	BINDINGDB.	No reference
IC50 (binding)	= 596 nM	Luciferase-Based Assay	BINDINGDB.	No reference

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: CHEMBL3651299

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1978811