TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 285.298 | Formula: C15H15N3O3
H donors: 1 H acceptors: 1 LogP: 3.68 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCC(N=[N+]=[N-])COc1ccc(cc1)Oc1ccccc1
InChi: 1S/C15H15N3O3/c16-18-17-12(10-19)11-20-13-6-8-15(9-7-13)21-14-4-2-1-3-5-14/h1-9,12,19H,10-11H2
InChiKey: ZITJPCAXRNKMGV-UHFFFAOYSA-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
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0851	0.0793
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275
Onchocerca volvulus		0.0017	0.2198	0.3161
Trypanosoma cruzi	cysteine proteinase, putative	0.0009	0.0851	0.053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Echinococcus granulosus	cathepsin l1	0.0017	0.2198	0.4138
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.2198	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0009	0.0851	0.053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0009	0.0851	0.3874
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.05	0.2275
Onchocerca volvulus		0.0017	0.2198	0.3161
Brugia malayi	Cathepsin L-like precursor	0.0011	0.128	0.2447
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.8444	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.2198	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.2198	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0894	0.0754
Plasmodium vivax	vivapain-2	0.0017	0.2198	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.2198	0.4138
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.128	0.5823
Schistosoma mansoni	cpg binding protein	0.0031	0.4455	0.4619
Schistosoma mansoni	cpg binding protein	0.0029	0.4183	0.4331
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Onchocerca volvulus		0.0017	0.2198	0.3161
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.7736	0.7656
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.128	0.3182
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.128	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0011	0.128	0.2447
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.2198	1
Echinococcus multilocularis	cysteine protease	0.0017	0.2198	0.4138
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Echinococcus multilocularis	cpg binding protein	0.0031	0.4455	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.128	0.5823
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.2198	0.4835
Echinococcus multilocularis	cathepsin L	0.0009	0.0851	0.0642
Trichomonas vaginalis	helicase, putative	0.0007	0.05	0.2275
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.9523	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.2198	0.2223
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.2198	0.3161
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.2198	0.4835
Echinococcus granulosus	cathepsin L cysteine protease	0.0009	0.0851	0.0642
Loa Loa (eye worm)	cysteine protease	0.0017	0.2198	0.4835
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.2198	1
Echinococcus granulosus	cathepsin L	0.0009	0.0851	0.0642
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.2198	0.4138
Plasmodium vivax	vivapain-2	0.0017	0.2198	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0009	0.0851	0.1333
Trypanosoma cruzi	cysteine proteinase, putative	0.0009	0.0851	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Leishmania major	cathepsin L-like protease	0.0065	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0894	0.0754
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.2198	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.05	0.2275
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.2198	0.3161
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.2198	0.4138
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Plasmodium vivax	unspecified product	0.0009	0.0851	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0009	0.0851	0.053
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.2198	0.4138
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Brugia malayi	Papain family cysteine protease containing protein	0.0009	0.0851	0.1333
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0009	0.0851	0.3874
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Trypanosoma cruzi	cysteine protease, putative	0.0009	0.0851	0.053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Brugia malayi	cathepsin L-like precursor	0.0011	0.128	0.2447
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.9082	0.905
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Onchocerca volvulus		0.0017	0.2198	0.3161
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.2198	0.2223
Onchocerca volvulus		0.0029	0.4183	1
Echinococcus granulosus	cathepsin l1	0.0011	0.128	0.1754
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.4183	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.2198	0.4835
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0851	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.2198	0.4138
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	1	1
Plasmodium vivax	vivapain-3	0.0009	0.0851	0.2757
Echinococcus multilocularis	cysteine protease	0.0017	0.2198	0.4138
Loa Loa (eye worm)	fibroinase	0.0017	0.2198	0.4835
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0894	0.1445
Echinococcus granulosus	cpg binding protein	0.0031	0.4455	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Onchocerca volvulus		0.0017	0.2198	0.3161
Onchocerca volvulus		0.0017	0.2198	0.3161
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Leishmania major	cathepsin L-like protease	0.0065	1	1
Schistosoma mansoni	cathepsin s	0.0006	0.0339	0.0249
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.2198	0.4835
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0604	0.0531
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.128	0.2447
Plasmodium vivax	vivapain-1	0.0009	0.0851	0.2757
Onchocerca volvulus		0.0017	0.2198	0.3161
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.2198	0.3161
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275
Schistosoma mansoni	cpg binding protein	0.0031	0.4455	0.4619
Loa Loa (eye worm)	hypothetical protein	0.0011	0.128	0.2447
Loa Loa (eye worm)	ctsf protein	0.0017	0.2198	0.4835
Loa Loa (eye worm)	hypothetical protein	0.0011	0.128	0.2447
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.2198	0.4138
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275
Echinococcus granulosus	cysteine protease	0.0009	0.0851	0.0642
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.2198	0.4835
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.128	0.2447
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.4183	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0009	0.0851	0.0793
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.2198	0.1924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.05	0.2275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.2198	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0876	0.1396
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.05	0.2275

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 70 uM	Antimicrobial activity against Trypanosoma cruzi	ChEMBL.	20185316

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: CHEMBL1213173

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 1173351