TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.336 | Formula: C17H19NO6
H donors: 0 H acceptors: 3 LogP: 4.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(OC(=O)[C@H](c1ccc2c(c1)ccc(c2)OC)C)O[N+](=O)[O-]
InChi: 1S/C17H19NO6/c1-4-16(24-18(20)21)23-17(19)11(2)12-5-6-14-10-15(22-3)8-7-13(14)9-12/h5-11,16H,4H2,1-3H3/t11-,16?/m0/s1
InChiKey: BXVBNNQPDVKZDL-CHPOKUKFSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2053	0.5201	0.5201
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0563	0.0348	0.0348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Echinococcus granulosus	cathepsin l1	0.2053	0.5201	0.5201
Trypanosoma cruzi	cysteine protease, putative	0.1104	0.2108	0.2108
Plasmodium vivax	vivapain-2	0.2053	0.5201	1
Brugia malayi	Papain family cysteine protease containing protein	0.1104	0.2108	0.2108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.2053	0.5201	0.5201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0647	0.0622	0.0622
Echinococcus multilocularis	cysteine protease	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Onchocerca volvulus		0.2053	0.5201	1
Echinococcus multilocularis	cysteine protease	0.2053	0.5201	0.5201
Giardia lamblia	Cathepsin B precursor	0.1406	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.3526	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Loa Loa (eye worm)	hypothetical protein	0.1406	0.3092	0.3092
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2053	0.5201	1
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1104	0.2108	0.2108
Brugia malayi	Papain family cysteine protease containing protein	0.1104	0.2108	0.2108
Onchocerca volvulus		0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Entamoeba histolytica	cysteine proteinase, putative	0.1104	0.2108	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.1104	0.2108	0.4054
Echinococcus granulosus	cysteine protease	0.1104	0.2108	0.2108
Plasmodium vivax	vivapain-3	0.1104	0.2108	0.4054
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Entamoeba histolytica	cysteine proteinase, putative	0.2053	0.5201	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3526	1	1
Loa Loa (eye worm)	hypothetical protein	0.3526	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Loa Loa (eye worm)	ctsf protein	0.2053	0.5201	0.5201
Trypanosoma cruzi	cysteine peptidase, putative	0.1104	0.2108	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0647	0.0622	0.0622
Onchocerca volvulus		0.2053	0.5201	1
Entamoeba histolytica	cysteine proteinase 2	0.1104	0.2108	0.4054
Loa Loa (eye worm)	fibroinase	0.2053	0.5201	0.5201
Trypanosoma cruzi	cruzipain precursor, putative	0.2053	0.5201	0.5201
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Onchocerca volvulus	Cathepsin F homolog	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1406	0.3093	0.5947
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0563	0.0348	0.0348
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1104	0.2108	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0647	0.0622	0.0622
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3526	1	1
Onchocerca volvulus		0.2053	0.5201	1
Echinococcus multilocularis	cathepsin b	0.3526	1	1
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Echinococcus granulosus	cathepsin l1	0.1406	0.3092	0.3092
Echinococcus granulosus	cathepsin L	0.1104	0.2108	0.2108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0106	0.0106
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Brugia malayi	Cathepsin L-like precursor	0.1406	0.3092	0.3092
Schistosoma mansoni	voltage-gated potassium channel	0.0615	0.0517	0.0517
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.2053	0.5201	0.5201
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2053	0.5201	0.5201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Plasmodium vivax	vivapain-2	0.2053	0.5201	1
Loa Loa (eye worm)	hypothetical protein	0.1406	0.3092	0.3092
Plasmodium vivax	unspecified product	0.0647	0.0622	0.1196
Entamoeba histolytica	cysteine protease, putative	0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.1104	0.2108	0.2108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0647	0.0622	0.0622
Toxoplasma gondii	cathepsin B	0.1406	0.3093	0.5947
Loa Loa (eye worm)	hypothetical protein	0.1406	0.3092	0.3092
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2053	0.5201	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0563	0.0348	0.0348
Onchocerca volvulus	Cathepsin L homolog	0.2053	0.5201	1
Loa Loa (eye worm)	hypothetical protein	0.0647	0.0622	0.0622
Schistosoma mansoni	cathepsin F (C01 family)	0.1406	0.3092	0.3092
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1406	0.3092	0.5946
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0526	0.0228	0.0438
Onchocerca volvulus		0.1406	0.3092	0.5946
Echinococcus multilocularis	cathepsin L	0.1104	0.2108	0.2108
Trypanosoma cruzi	cysteine peptidase, putative	0.2053	0.5201	0.5201
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.1406	0.3092	0.3092
Trypanosoma cruzi	cysteine peptidase, putative	0.0647	0.0622	0.0622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1104	0.2108	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1406	0.3092	0.5946
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.1104	0.2108	0.2108
Echinococcus granulosus	cathepsin L cysteine protease	0.1104	0.2108	0.2108
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Brugia malayi	Cathepsin L-like precursor	0.1406	0.3092	0.3092
Brugia malayi	Papain family cysteine protease containing protein	0.2053	0.5201	0.5201
Schistosoma mansoni	voltage-gated potassium channel	0.0615	0.0517	0.0517
Brugia malayi	Cathepsin L-like precursor	0.0647	0.0622	0.0622
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine proteinase, putative	0.1104	0.2108	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2053	0.5201	0.5201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1406	0.3093	0.3093
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Onchocerca volvulus		0.2053	0.5201	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.3526	1	1
Plasmodium vivax	vivapain-1	0.1104	0.2108	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2053	0.5201	0.5201
Trypanosoma cruzi	cysteine peptidase, putative	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1406	0.3092	0.3092
Loa Loa (eye worm)	cysteine protease	0.2053	0.5201	0.5201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Brugia malayi	cathepsin L-like precursor	0.1406	0.3092	0.3092
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine proteinase, putative	0.1104	0.2108	0.4054
Loa Loa (eye worm)	hypothetical protein	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine proteinase 1, putative	0.1104	0.2108	0.4054
Loa Loa (eye worm)	cathepsin B	0.1406	0.3093	0.3093
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Entamoeba histolytica	cysteine proteinase, putative	0.1104	0.2108	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1104	0.2108	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3526	1	1
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Brugia malayi	Cathepsin L-like precursor	0.2053	0.5201	0.5201
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Onchocerca volvulus		0.2053	0.5201	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0647	0.0622	0.0622
Echinococcus granulosus	cathepsin b	0.3526	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1104	0.2108	0.2108
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Toxoplasma gondii	cathepsin CPL	0.2053	0.5201	1
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Leishmania major	cysteine peptidase A (CPA)	0.2053	0.5201	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2053	0.5201	1
Giardia lamblia	Cathepsin B precursor	0.1406	0.3093	1
Entamoeba histolytica	cysteine proteinase, putative	0.2053	0.5201	1
Entamoeba histolytica	cysteine proteinase, putative	0.1406	0.3092	0.5946
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2053	0.5201	1
Entamoeba histolytica	cysteine protease, putative	0.1104	0.2108	0.4054
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0526	0.0228	0.0438
Schistosoma mansoni	cathepsin F (C01 family)	0.2053	0.5201	0.5201
Schistosoma mansoni	cathepsin s	0.0647	0.0622	0.0622
Giardia lamblia	Cathepsin B precursor	0.1406	0.3093	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2053	0.5201	0.5201
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2053	0.5201	0.5201
Plasmodium vivax	unspecified product	0.1104	0.2108	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Trypanosoma cruzi	cysteine proteinase, putative	0.1104	0.2108	0.2108
Onchocerca volvulus		0.2053	0.5201	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1406	0.3093	0.3183
Onchocerca volvulus	Cathepsin L homolog	0.2053	0.5201	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1406	0.3093	0.3093
Echinococcus multilocularis	cathepsin L cysteine protease	0.2053	0.5201	0.5201
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0647	0.0622	0.0622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2053	0.5201	1
Echinococcus granulosus	cathepsin b	0.3526	1	1
Echinococcus multilocularis	cathepsin b	0.3526	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2053	0.5201	0.5201
Leishmania major	cathepsin L-like protease	0.2053	0.5201	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0563	0.0348	0.0348

Activities

No activities found for this compound.

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: CHEMBL3357808

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 943221