TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.415 | Formula: C17H18N4O3S
H donors: 3 H acceptors: 3 LogP: 1.28 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2c(C1=CNc1ccc(cc1)S(=O)(=O)N)cc(cc2)N(C)C
InChi: 1S/C17H18N4O3S/c1-21(2)12-5-8-16-14(9-12)15(17(22)20-16)10-19-11-3-6-13(7-4-11)25(18,23)24/h3-10,19H,1-2H3,(H,20,22)(H2,18,23,24)
InChiKey: XHBOHQMIFHBKMM-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

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	proto oncogene tyrosine protein kinase LCK	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 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
Loa Loa (eye worm)	TK protein 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 Lyn	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
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
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 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	ko:K08892 fyn-related kinase, 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 granulosus	tyrosine kinase\|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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, 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 multilocularis	tyrosine protein kinase Src64B	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:K05703 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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, 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
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
Loa Loa (eye worm)	SRC-1	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	tyrosine protein kinase Src42A	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 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 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
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	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

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
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0008	0.0025	0.5
Schistosoma mansoni	tyrosine kinase	0.001	0.0046	0.098
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Brugia malayi	cell division control protein 2 homolog	0.0052	0.0473	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0025	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0033	0.0682
Echinococcus granulosus	lysosomal acid lipase:cholesteryl ester	0.0008	0.0025	0.0498
Plasmodium falciparum	protein kinase 5	0.0052	0.0473	1
Onchocerca volvulus	Lipase homolog	0.0008	0.0025	1
Loa Loa (eye worm)	hydrolase	0.0008	0.0025	0.0498
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0008	0.0025	0.0498
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0046	0.0958
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0314	0.6626
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0008	0.0025	0.0498
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.036	0.7608
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.036	0.7608
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.036	0.7608
Echinococcus granulosus	abhydrolase domain containing protein 11	0.0008	0.0025	0.0498
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0347	0.7332
Echinococcus multilocularis	abhydrolase domain containing protein 16A	0.0008	0.0025	0.0498
Plasmodium vivax	protein kinase Crk2	0.0052	0.0473	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0405	0.8566
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0314	0.6626
Echinococcus multilocularis	cyclin dependent kinase 1	0.0052	0.0473	1
Brugia malayi	Protein kinase domain containing protein	0.0052	0.0473	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Echinococcus granulosus	tyrosine kinase	0.0041	0.036	0.7608
Mycobacterium ulcerans	haloalkane dehalogenase	0.0987	1	1
Entamoeba histolytica	protein kinase, putative	0.0036	0.0314	0.6626
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0405	0.8566
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.0473	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0405	0.8566
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0473	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0347	0.7332
Echinococcus multilocularis	cyclin dependent kinase	0.0052	0.0473	1
Trypanosoma brucei	cdc2-related kinase 1	0.0052	0.0473	1
Giardia lamblia	Kinase, CMGC CDK	0.0052	0.0473	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0405	0.8566
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0046	0.0958
Schistosoma mansoni	tyrosine kinase	0.0006	0.0001	0.0024
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0033	0.0705
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0473	1
Entamoeba histolytica	hypothetical protein	0.0008	0.0025	0.0498
Schistosoma mansoni	hydrolase	0.0008	0.0025	0.0522
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0033	0.0705
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0052	0.0473	1
Echinococcus granulosus	cyclin dependent kinase	0.0052	0.0473	1
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0008	0.0025	0.0498
Giardia lamblia	Kinase, CMGC CDK	0.0052	0.0473	1
Onchocerca volvulus	Lipase homolog	0.0008	0.0025	1
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0008	0.0025	0.0498
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.0473	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0052	0.0473	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0052	0.0473	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.036	0.7608
Echinococcus multilocularis	cyclin dependent kinase 1	0.0052	0.0473	1
Trypanosoma brucei	cdc2-related kinase 3	0.0052	0.0473	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.0473	1
Schistosoma mansoni	nck2/grb4	0.0009	0.0033	0.0705
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0405	0.8566
Brugia malayi	protein-tyrosine kinase	0.0041	0.036	0.7608
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0473	1
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0033	0.0682
Echinococcus multilocularis	abhydrolase domain containing protein 11	0.0008	0.0025	0.0498
Loa Loa (eye worm)	TK protein kinase	0.0041	0.036	0.7608
Entamoeba histolytica	cell division protein kinase 2, putative	0.0052	0.0473	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0046	0.0411	0.8686
Schistosoma mansoni	adapter molecule crk	0.0009	0.0033	0.0705
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Schistosoma mansoni	tyrosine kinase	0.001	0.0046	0.098
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0008	0.0025	0.0498
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.036	0.7608
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0033	0.0682
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0033	0.0705
Echinococcus granulosus	NCK adaptor protein	0.0009	0.0033	0.0682
Echinococcus multilocularis	cyclin dependent kinase 5	0.0052	0.0473	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0052	0.0473	1
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0008	0.0025	0.5
Trypanosoma cruzi	cdc2-related kinase 3	0.0052	0.0473	1
Echinococcus multilocularis	abhydrolase domain containing protein	0.0008	0.0025	0.0498
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0008	0.0025	0.5
Brugia malayi	Alpha/beta hydrolase	0.0008	0.0025	0.0498
Trypanosoma cruzi	cdc2-related kinase 1	0.0052	0.0473	1
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0008	0.0025	0.0498
Loa Loa (eye worm)	SRC-1	0.0045	0.0405	0.8566
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0467	0.988
Echinococcus multilocularis	abhydrolase domain containing 3	0.0008	0.0025	0.0498
Echinococcus multilocularis	abhydrolase domain containing protein 3	0.0008	0.0025	0.0498
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0033	0.0682
Schistosoma mansoni	tyrosine kinase	0.0045	0.0405	0.8569
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0033	0.0682
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0046	0.098
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0052	0.0473	1
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0008	0.0025	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0405	0.8566
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0008	0.0025	0.0498
Entamoeba histolytica	cell division protein kinase 2, putative	0.0052	0.0473	1
Schistosoma mansoni	tyrosine kinase	0.0006	0.0001	0.0024
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0008	0.0025	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0025	0.0498
Echinococcus granulosus	abhydrolase domain containing protein	0.0008	0.0025	0.0498
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0008	0.0025	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0033	0.0682
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0033	0.0682
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0046	0.0958
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0405	0.8566
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0046	0.0958
Brugia malayi	SRC-1	0.0045	0.0405	0.8566
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0405	0.8566
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0473	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0009	0.0033	0.0682
Brugia malayi	UPF0017 protein CG3488	0.0008	0.0025	0.0498
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0405	0.8566
Echinococcus granulosus	cyclin dependent kinase 1	0.0052	0.0473	1
Mycobacterium leprae	Probable exported protease	0.0008	0.0025	0.5
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0008	0.0025	0.0498
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0052	0.0473	1
Brugia malayi	alpha/beta hydrolase	0.0008	0.0025	0.0498
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0473	1
Echinococcus granulosus	abhydrolase domain containing protein 3	0.0008	0.0025	0.0498
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0405	0.8566
Echinococcus granulosus	cyclin dependent kinase 5	0.0052	0.0473	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0046	0.0958
Schistosoma mansoni	tyrosine kinase	0.0045	0.0405	0.8569
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0046	0.0958
Mycobacterium leprae	Probable exported protease	0.0008	0.0025	0.5
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0314	0.6626
Schistosoma mansoni	family S33 non-peptidase homologue (S33 family)	0.0008	0.0025	0.0522
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0405	0.8566
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0033	0.0682

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.6266 uM	PubChem BioAssay. qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5385 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL3198144

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 1875632