TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 330.335 | Formula: C17H18N2O5
H donors: 5 H acceptors: 5 LogP: -1.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)C[C@@H](C(=O)NC(c1cccc(c1)O)C(=O)O)N
InChi: 1S/C17H18N2O5/c18-14(8-10-4-6-12(20)7-5-10)16(22)19-15(17(23)24)11-2-1-3-13(21)9-11/h1-7,9,14-15,20-21H,8,18H2,(H,19,22)(H,23,24)/t14-,15?/m0/s1
InChiKey: BSPWVUFVYUODEO-MLCCFXAWSA-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	tyrosyl-tRNA synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Schistosoma mansoni	tyrosyl-tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Leishmania donovani	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Leishmania mexicana	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Plasmodium vivax	tyrosine--tRNA ligase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Cryptosporidium parvum	tyrosyl-tRNA synthetase (tyrosyl-tRNA ligase; TyrRS). class-I aaRS	Get druggable targets OG5_127567	All targets in OG5_127567
Plasmodium falciparum	tyrosine--tRNA ligase	Get druggable targets OG5_127567	All targets in OG5_127567
Echinococcus multilocularis	tyrosyl tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Toxoplasma gondii	tRNA synthetases class I family protein	Get druggable targets OG5_127567	All targets in OG5_127567
Theileria parva	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Candida albicans	tyrosyl-tRNA synthetase, cytoplasmic	Get druggable targets OG5_127567	All targets in OG5_127567
Schistosoma japonicum	ko:K01866 tyrosyl-tRNA synthetase [EC6.1.1.1], putative	Get druggable targets OG5_127567	All targets in OG5_127567
Schistosoma japonicum	ko:K01866 tyrosyl-tRNA synthetase [EC6.1.1.1], putative	Get druggable targets OG5_127567	All targets in OG5_127567
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Leishmania infantum	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Babesia bovis	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Plasmodium yoelii	tyrosyl-tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Candida albicans	tyrosyl-tRNA synthetase, cytoplasmic	Get druggable targets OG5_127567	All targets in OG5_127567
Entamoeba histolytica	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Cryptosporidium hominis	tyrosyl-tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Echinococcus granulosus	tyrosyl tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Plasmodium berghei	tyrosine--tRNA ligase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Plasmodium knowlesi	tyrosine--tRNA ligase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Giardia lamblia	Tyrosyl-tRNA synthetase	Get druggable targets OG5_127567	All targets in OG5_127567
Neospora caninum	hypothetical protein	Get druggable targets OG5_127567	All targets in OG5_127567
Leishmania braziliensis	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Leishmania major	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567
Trypanosoma brucei gambiense	tyrosyl-tRNA synthetase, putative	Get druggable targets OG5_127567	All targets in OG5_127567

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	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.2432	0.6467
Onchocerca volvulus		0.0012	0.1053	1
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Loa Loa (eye worm)	hypothetical protein	0.0034	0.6802	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Toxoplasma gondii	tRNA synthetases class I family protein	0.0023	0.3761	1
Toxoplasma gondii	methionyl-tRNA synthetase	0.0018	0.2432	0.5094
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	1	1
Onchocerca volvulus		0.0012	0.1053	1
Onchocerca volvulus	Cathepsin F homolog	0.0012	0.1053	1
Loa Loa (eye worm)	cysteine protease	0.0012	0.1053	0.1548
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0012	0.1053	0.0469
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0012	0.1053	0.1548
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0018	0.2432	0.3576
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.1053	0.1264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0695	0.0835
Echinococcus granulosus	cathepsin l1	0.0012	0.1053	0.1264
Schistosoma mansoni	hypothetical protein	0.0023	0.3975	0.4775
Onchocerca volvulus		0.0012	0.1053	1
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.2432	0.6467
Onchocerca volvulus		0.0012	0.1053	1
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	0.0023	0.3761	0.3027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Leishmania major	tyrosyl or methionyl-tRNA synthetase-like protein	0.0018	0.2432	0.1542
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Onchocerca volvulus		0.0012	0.1053	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0012	0.1053	0.1264
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0012	0.1053	0.1548
Plasmodium falciparum	tRNA import protein tRIP	0.0018	0.2432	0.5094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.1053	0.2799
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.1053	0.2799
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	1	1
Trichomonas vaginalis	methionyl-tRNA synthetase, putative	0.0018	0.2432	0.6467
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.0018	0.2432	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Brugia malayi	Cathepsin L-like precursor	0.0012	0.1053	0.1548
Echinococcus granulosus	GPCR family 2	0.0011	0.0695	0.0835
Echinococcus multilocularis	cysteine protease	0.0012	0.1053	0.0469
Plasmodium vivax	tyrosine--tRNA ligase, putative	0.0023	0.3761	1
Onchocerca volvulus	Cathepsin L homolog	0.0012	0.1053	1
Leishmania major	hypothetical protein	0.0018	0.2432	0.1542
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.0023	0.3761	1
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.1053	0.1548
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0011	0.0695	0.0835
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.2432	0.6467
Plasmodium falciparum	tyrosine--tRNA ligase	0.0023	0.3761	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1053	0.1548
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0011	0.0695	0.1022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0011	0.0695	0.0835
Onchocerca volvulus		0.0012	0.1053	1
Echinococcus multilocularis	cysteine protease	0.0012	0.1053	0.0469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Giardia lamblia	Tyrosyl-tRNA synthetase	0.0023	0.3761	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0012	0.1053	0.2799
Leishmania major	hypothetical protein, conserved	0.0018	0.2432	0.1542
Brugia malayi	Latrophilin receptor protein 2	0.0011	0.0695	0.1022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Onchocerca volvulus	Cathepsin L homolog	0.0012	0.1053	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0023	0.3975	0.5844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0012	0.1053	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0695	0.1022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Schistosoma mansoni	hypothetical protein	0.0011	0.0695	0.0835
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.2432	0.1542
Toxoplasma gondii	tRNA binding domain-containing protein	0.0018	0.2432	0.5094
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.2432	0.1542
Schistosoma mansoni	methionyl-tRNA synthetase	0.0018	0.2432	0.2922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Echinococcus granulosus	tyrosyl tRNA synthetase	0.004	0.8325	1
Entamoeba histolytica	hypothetical protein	0.0018	0.2432	0.6467
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0034	0.6802	1
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0018	0.2432	0.6467
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Echinococcus multilocularis	aminoacyl tRNA synthase complex interacting	0.0018	0.2432	0.2277
Trypanosoma cruzi	major cysteine proteinase, putative	0.0037	0.7404	0.7098
Treponema pallidum	methionyl-tRNA synthetase	0.0018	0.2432	0.5
Echinococcus multilocularis	tyrosyl tRNA synthetase	0.004	0.8325	1
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0018	0.2432	0.1542
Echinococcus granulosus	aminoacyl tRNA synthase complex interacting	0.0018	0.2432	0.2922
Leishmania major	cathepsin L-like protease	0.0047	1	1
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit beta	0.0018	0.2432	0.5
Schistosoma mansoni	hypothetical protein	0.0011	0.0695	0.0835
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.2432	0.6467
Echinococcus multilocularis	cathepsin L cysteine protease	0.0012	0.1053	0.0469
Schistosoma mansoni	tyrosyl-tRNA synthetase	0.004	0.8325	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0012	0.1053	0.0469
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0043	0.8947	0.8824
Loa Loa (eye worm)	hypothetical protein	0.0023	0.3975	0.5844
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0011	0.0695	0.1022
Onchocerca volvulus		0.0012	0.1053	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0034	0.6802	1
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.0018	0.2432	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0012	0.1053	0.2799
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0018	0.2432	0.1542
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	1	1
Leishmania major	cathepsin L-like protease	0.0047	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0012	0.1053	0.1264
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0695	0.0835
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.1053	0.2799
Plasmodium vivax	methionine-tRNA ligase, putative	0.0018	0.2432	0.5094
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.1053	0.2799
Loa Loa (eye worm)	ctsf protein	0.0012	0.1053	0.1548
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	1	1
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit beta	0.0018	0.2432	0.5
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0023	0.3761	0.1756
Entamoeba histolytica	hypothetical protein	0.0018	0.2432	0.6467
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0034	0.6802	1
Loa Loa (eye worm)	fibroinase	0.0012	0.1053	0.1548
Leishmania major	tyrosyl-tRNA synthetase, putative	0.0023	0.3761	0.3027
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0012	0.1053	0.0469
Entamoeba histolytica	tyrosyl-tRNA synthetase, putative	0.0023	0.3761	1
Brugia malayi	methionyl-tRNA synthetase	0.0018	0.2432	0.3576

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.4 uM	Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase	ChEMBL.	10522706
IC50 (binding)	= 3.4 uM	Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase	ChEMBL.	10522706

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

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 160065