TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.303 | Formula: C14H17N3O3
H donors: 1 H acceptors: 2 LogP: 1.53 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C=NNC(=O)C(=O)N1CCCC1
InChi: 1S/C14H17N3O3/c1-20-12-7-3-2-6-11(12)10-15-16-13(18)14(19)17-8-4-5-9-17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,18)/b15-10+
InChiKey: OTIOJRAVBXPSBS-XNTDXEJSSA-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

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	aminopeptidase PILS (M01 family)	0.0026	0.0051	0.0051
Entamoeba histolytica	recQ family helicase, putative	0.002	0.000000000075202	0.5
Schistosoma mansoni	hypothetical protein	0.0168	0.1247	0.1247
Echinococcus multilocularis	geminin	0.0168	0.1247	0.1247
Schistosoma mansoni	aryl hydrocarbon receptor	0.0054	0.0291	0.0291
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Echinococcus multilocularis	glycoprotein Antigen 5	0.0026	0.0051	0.0051
Plasmodium falciparum	cysteine repeat modular protein 1	0.0052	0.0275	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0497	0.402	0.402
Brugia malayi	Kringle domain containing protein	0.0052	0.0275	0.0275
Schistosoma mansoni	hypothetical protein	0.0168	0.1247	0.1247
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.1207	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Echinococcus multilocularis	Niemann Pick C1 protein	0.0497	0.402	0.402
Brugia malayi	Trypsin family protein	0.0026	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0168	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Onchocerca volvulus	Phospholipase A2 homolog	0.0191	0.1447	1
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0052	0.0275	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.000000000075202	0.0000000027301
Schistosoma mansoni	single-minded	0.0054	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.1207	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1447	0.1447
Mycobacterium ulcerans	putative regulatory protein	0.004	0.0173	0.0122
Loa Loa (eye worm)	trypsin family protein	0.0026	0.0051	0.0051
Toxoplasma gondii	kringle domain-containing protein	0.0052	0.0275	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Echinococcus granulosus	glycoprotein Antigen 5	0.0026	0.0051	0.0051
Schistosoma mansoni	patched 1	0.0497	0.402	0.402
Echinococcus granulosus	single minded 2	0.004	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0791	0.0791
Echinococcus granulosus	Mastin	0.0026	0.0051	0.0051
Brugia malayi	Trypsin family protein	0.0026	0.0051	0.0051
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0026	0.0051	0.0051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Onchocerca volvulus		0.0114	0.0791	0.5301
Onchocerca volvulus		0.004	0.0173	0.0872
Echinococcus multilocularis	transmembrane protease serine 3	0.0026	0.0051	0.0051
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.1207	1	1
Brugia malayi	Trypsin family protein	0.0114	0.0791	0.0791
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0802	0.6591	0.6591
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1367	0.1367
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0566	0.4604	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0497	0.402	0.402
Echinococcus multilocularis	Mastin	0.0026	0.0051	0.0051
Brugia malayi	CHE-14 protein	0.0497	0.402	0.402
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0026	0.0051	0.0051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.0791	0.0791
Brugia malayi	bHLH-PAS transcription factor	0.004	0.0173	0.0173
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.1207	1	1
Loa Loa (eye worm)	hypothetical protein	0.1207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Brugia malayi	Trypsin-like protease protein 5	0.0026	0.0051	0.0051
Brugia malayi	Protein kinase domain containing protein	0.0052	0.0275	0.0275
Brugia malayi	hypoxia-induced factor 1	0.0168	0.1248	0.1248
Loa Loa (eye worm)	TK/ROR protein kinase	0.0052	0.0275	0.0275
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Echinococcus granulosus	enteropeptidase	0.0026	0.0051	0.0051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Echinococcus multilocularis	protein patched	0.0497	0.402	0.402
Echinococcus multilocularis	protein dispatched 1	0.0497	0.402	0.402
Brugia malayi	hypothetical protein	0.0182	0.1367	0.1367
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0566	0.4604	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0791	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0497	0.402	0.402
Echinococcus granulosus	geminin	0.0168	0.1247	0.1247
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.1207	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Onchocerca volvulus	Phospholipase A2 homolog	0.0191	0.1447	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0114	0.0791	0.0791
Onchocerca volvulus		0.0052	0.0275	0.1607
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0275	0.0275
Brugia malayi	Trypsin family protein	0.0026	0.0051	0.0051
Schistosoma mansoni	hypothetical protein	0.0052	0.0275	0.0275
Echinococcus multilocularis	enteropeptidase	0.0026	0.0051	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Echinococcus granulosus	Protein patched homolog 1	0.0497	0.402	0.402
Schistosoma mansoni	hypothetical protein	0.0026	0.0051	0.0051
Echinococcus multilocularis	transfer RNA-Lys	0.004	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Echinococcus granulosus	transmembrane protease serine 3	0.0026	0.0051	0.0051
Onchocerca volvulus		0.0088	0.0575	0.3752
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0026	0.0051	0.0051
Brugia malayi	Phospholipase A2 family protein	0.0191	0.1447	0.1447
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0026	0.0051	0.0051
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0497	0.402	0.402
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.1207	1	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0026	0.0051	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Echinococcus granulosus	Niemann Pick C1 protein	0.0497	0.402	0.402
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0566	0.4604	1
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1447	0.1447
Echinococcus multilocularis	sterol regulatory element binding protein	0.0497	0.402	0.402
Trichomonas vaginalis	conserved hypothetical protein	0.0497	0.402	0.8732
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0275	0.0275
Schistosoma mansoni	hypothetical protein	0.0026	0.0051	0.0051
Brugia malayi	PAS domain containing protein	0.0054	0.0291	0.0291
Brugia malayi	hypothetical protein	0.0026	0.0051	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0026	0.0051	0.0051
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.1207	1	1
Echinococcus multilocularis	tissue type plasminogen activator	0.0052	0.0275	0.0275
Echinococcus granulosus	tissue type plasminogen activator	0.0052	0.0275	0.0275
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.1207	1	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0275	0.0275
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0566	0.4604	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 846833