TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 165.189 | Formula: C9H11NO2
H donors: 3 H acceptors: 2 LogP: 0.63 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: NC1Cc2c(C1)cc(c(c2)O)O
InChi: 1S/C9H11NO2/c10-7-1-5-3-8(11)9(12)4-6(5)2-7/h3-4,7,11-12H,1-2,10H2
InChiKey: MTDARFGDCNHWEK-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	FYN proto-oncogene, 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
Brugia malayi	SRC-1	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 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 kinase\|tyrosine protein kinase Fyn	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 Src64B	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 granulosus	tyrosine protein kinase Lyn	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 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 multilocularis	tyrosine protein kinase Src42A	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 granulosus	tyrosine protein kinase HCK	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 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 granulosus	tyrosine protein kinase Src64B	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 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 japonicum	Proto-oncogene tyrosine-protein kinase FYN, 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
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 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
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 multilocularis	tyrosine protein kinase Src42A	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	proto oncogene tyrosine protein kinase LCK	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 mansoni	tyrosine kinase	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 mansoni	tyrosine kinase	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 multilocularis	tyrosine protein kinase Fyn	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

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
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.007	0.007
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.132	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0776	0.0776
Toxoplasma gondii	adenosylhomocysteinase, putative	0.132	1	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0196	0.0196
Echinococcus granulosus	thymidylate synthase	0.021	0.1488	0.1488
Schistosoma mansoni	tyrosine kinase	0.0045	0.023	0.023
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.023	0.023
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0161	0.0161
Brugia malayi	protein-tyrosine kinase	0.0041	0.0196	0.0196
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0776	0.0776
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0224	0.0224
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0161	0.0161
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0186	0.0186
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0295	0.2144	0.2144
Brugia malayi	MH2 domain containing protein	0.0117	0.0776	0.0776
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.023	0.023
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0224	0.0224
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Schistosoma mansoni	adenosylhomocysteinase	0.132	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.007	0.007
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0196	0.0196
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.021	0.1488	0.1488
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0085	0.0537	0.0537
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.007	0.007
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.007	0.007
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.023	0.023
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0196	0.0196
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.007	0.007
Echinococcus granulosus	geminin	0.0166	0.1151	0.1151
Schistosoma mansoni	hypothetical protein	0.0035	0.0151	0.0151
Loa Loa (eye worm)	thymidylate synthase	0.021	0.1488	0.1488
Brugia malayi	hypothetical protein	0.0035	0.0151	0.0151
Schistosoma mansoni	adenosylhomocysteinase	0.0817	0.6143	0.6143
Schistosoma mansoni	tyrosine kinase	0.0045	0.023	0.023
Brugia malayi	hypothetical protein	0.0016	0.0004	0.0004
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.132	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0151	0.0151
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.023	0.023
Echinococcus granulosus	dihydrofolate reductase	0.0085	0.0537	0.0537
Schistosoma mansoni	adenosylhomocysteinase	0.0817	0.6143	0.6143
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.021	0.1488	0.1006
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0166	0.1151	0.1151
Brugia malayi	hypothetical protein	0.01	0.0646	0.0646
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0224	0.0224
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0186	0.0186
Brugia malayi	hypothetical protein	0.0025	0.007	0.007
Mycobacterium ulcerans	thymidylate synthase	0.021	0.1488	0.1006
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.023	0.023
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.132	1	1
Echinococcus granulosus	adenosylhomocysteinase	0.132	1	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.132	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0224	0.0224
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0196	0.0196
Brugia malayi	dihydrofolate reductase family protein	0.0085	0.0537	0.0537
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.023	0.023
Schistosoma mansoni	dihydrofolate reductase	0.0085	0.0537	0.0537
Loa Loa (eye worm)	dihydrofolate reductase	0.0085	0.0537	0.0537
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0414	0.3058	0.2578
Brugia malayi	Dihydrofolate reductase	0.0085	0.0537	0.0537
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0295	0.2144	0.2144
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0224	0.0224
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.132	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0151	0.0151
Schistosoma mansoni	adenosylhomocysteinase	0.0817	0.6143	0.6143
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.132	1	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0295	0.2144	0.2144
Entamoeba histolytica	adenosylhomocysteinase, putative	0.132	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0196	0.0196
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0224	0.0224
Onchocerca volvulus		0.021	0.1488	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.007	0.007
Echinococcus granulosus	tyrosine kinase	0.0041	0.0196	0.0196
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.023	0.023
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.01	0.0646	0.0646
Entamoeba histolytica	protein kinase, putative	0.0036	0.0161	0.001
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0161	0.0161
Leishmania major	S-adenosylhomocysteine hydrolase	0.132	1	1
Loa Loa (eye worm)	SRC-1	0.0045	0.023	0.023
Echinococcus multilocularis	dihydrofolate reductase	0.0085	0.0537	0.0537
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0224	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0224	0.0224
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Mycobacterium tuberculosis	Hypothetical protein	0.01	0.0646	0.0646
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0295	0.2144	0.2144
Echinococcus multilocularis	geminin	0.0166	0.1151	0.1151
Echinococcus multilocularis	thymidylate synthase	0.021	0.1488	0.1488
Plasmodium falciparum	adenosylhomocysteinase	0.132	1	1
Brugia malayi	thymidylate synthase	0.021	0.1488	0.1488
Loa Loa (eye worm)	adenosylhomocysteinase	0.132	1	1
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.132	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.007	0.007
Brugia malayi	SRC-1	0.0045	0.023	0.023
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0295	0.2144	0.2144
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0295	0.2144	0.2144
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.023	0.023
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.021	0.1488	0.1488
Chlamydia trachomatis	dihydrofolate reductase	0.0085	0.0537	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0196	0.0196
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.023	0.023
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0151	0.0151
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.023	0.023
Echinococcus multilocularis	adenosylhomocysteinase	0.132	1	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.132	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0224	0.0224
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.023	0.023
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.023	0.023
Schistosoma mansoni	adenosylhomocysteinase	0.0817	0.6143	0.6143
Leishmania major	hypothetical protein, conserved	0.0025	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0166	0.1151	0.1151
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.132	1	1
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.132	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 10 uM	Inhibition of peptide EPQ (pY) EEIPI binding to Fyn protein kinase SH2 domain	ChEMBL.	No reference
IC50 (binding)	= 10 uM	Inhibition of peptide EPQ (pY) EEIPI binding to Fyn protein kinase SH2 domain	ChEMBL.	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 16297