TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 254.327 | Formula: C16H18N2O
H donors: 1 H acceptors: 1 LogP: 2.56 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)C1CCc2c3n1c1CCCc1c3ccc2
InChi: 1S/C16H18N2O/c1-17-16(19)14-9-8-10-4-2-6-12-11-5-3-7-13(11)18(14)15(10)12/h2,4,6,14H,3,5,7-9H2,1H3,(H,17,19)
InChiKey: BFZZOIBFLKRIEA-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

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
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0114	0.0367	0.3996
Echinococcus multilocularis	aminopeptidase N	0.0114	0.0367	0.0367
Toxoplasma gondii	proteasome subunit beta type, putative	0.0165	0.0612	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.2141	1	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0114	0.0367	0.0367
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0114	0.0367	0.3996
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0114	0.0367	0.3996
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0114	0.0367	0.3996
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0151	0.0544	0.0544
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0165	0.0612	0.0612
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0165	0.0612	0.5
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0128	0.0437	0.0437
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0165	0.0612	1
Brugia malayi	Peptidase family M1 containing protein	0.0114	0.0367	0.0815
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0079	0.0205	0.0205
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.0199	0.0199
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0079	0.0205	0.0205
Trypanosoma brucei	proteasome beta 6 subunit	0.0128	0.0437	0.5699
Onchocerca volvulus		0.0151	0.0544	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0367	0.0367
Brugia malayi	TATA binding protein associated factor	0.0114	0.0367	0.0815
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0114	0.0367	0.3996
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0128	0.0437	0.5699
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0165	0.0612	1
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0165	0.0612	0.0612
Brugia malayi	Peptidase family M1 containing protein	0.0114	0.0367	0.0815
Toxoplasma gondii	aminopeptidase N protein	0.0114	0.0367	0.3996
Echinococcus multilocularis	geminin	0.0175	0.0658	0.0658
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0165	0.0612	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0544	0.0544
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0026	0.0026
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0128	0.0437	0.5699
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0544	0.0544
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0165	0.0612	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0114	0.0367	0.3996
Loa Loa (eye worm)	norepinephrine transporter	0.0151	0.0544	0.0544
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0114	0.0367	0.3996
Mycobacterium ulcerans	proteasome PrcB	0.0165	0.0612	1
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0114	0.0367	0.0367
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0165	0.0612	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0128	0.0437	0.5699
Brugia malayi	Peptidase family M1 containing protein	0.0114	0.0367	0.0815
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0114	0.0367	0.0367
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0114	0.0367	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0367	0.0367
Brugia malayi	proteasome subunit beta type 1	0.0128	0.0437	0.0969
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0128	0.0437	0.5699
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0114	0.0367	0.3996
Schistosoma mansoni	hypothetical protein	0.0175	0.0658	0.0658
Trypanosoma brucei	Aminopeptidase M1, putative	0.0114	0.0367	0.3996
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0114	0.0367	0.0367
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0128	0.0437	0.5699
Brugia malayi	Proteasome A-type and B-type family protein	0.0165	0.0612	0.1358
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.2141	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0544	0.0544
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0165	0.0612	0.0612
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Echinococcus granulosus	proteasome prosome macropain	0.0165	0.0612	0.0612
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0114	0.0367	0.3996
Echinococcus granulosus	geminin	0.0175	0.0658	0.0658
Leishmania major	proteasome beta 5 subunit, putative	0.0165	0.0612	1
Entamoeba histolytica	aminopeptidase, putative	0.0114	0.0367	0.3996
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0165	0.0612	1
Echinococcus multilocularis	serotonin transporter	0.0151	0.0544	0.0544
Echinococcus granulosus	aminopeptidase N	0.0114	0.0367	0.0367
Plasmodium falciparum	proteasome subunit beta type-5	0.0165	0.0612	1
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0128	0.0437	0.0437
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Trypanosoma cruzi	aminopeptidase, putative	0.0114	0.0367	0.3996
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.2141	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0072	0.0072
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0079	0.0205	0.0205
Treponema pallidum	sodium- and chloride- dependent transporter	0.0151	0.0544	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0295	0.0295
Brugia malayi	hypothetical protein	0.0114	0.0367	0.0815
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0114	0.0367	0.3996
Brugia malayi	proteasome subunit beta type 2	0.0079	0.0205	0.0454
Giardia lamblia	Proteasome subunit beta type 1	0.0128	0.0437	0.5699
Toxoplasma gondii	aminopeptidase n, putative	0.0114	0.0367	0.3996
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0128	0.0437	0.5699
Trypanosoma brucei	Aminopeptidase M1, putative	0.0114	0.0367	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0367	0.0367
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0295	0.0295
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0114	0.0367	0.3996
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0165	0.0612	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0114	0.0367	0.3996
Schistosoma mansoni	sodium/chloride dependent transporter	0.0151	0.0544	0.0544
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Loa Loa (eye worm)	serotonin transporter b	0.0151	0.0544	0.0544
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0122	0.0122
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0079	0.0205	0.0205
Toxoplasma gondii	aminopeptidase N, putative	0.0114	0.0367	0.3996
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0114	0.0367	0.3996
Loa Loa (eye worm)	aminopeptidase N	0.0114	0.0367	0.0367
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0079	0.0205	0.0205
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0128	0.0437	0.5699
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0026	0.0026
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0151	0.0544	0.1207
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0114	0.0367	0.3996
Schistosoma mansoni	hypothetical protein	0.0175	0.0658	0.0658
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Echinococcus granulosus	serotonin transporter	0.0151	0.0544	0.0544
Trypanosoma brucei	aminopeptidase, putative	0.0114	0.0367	0.3996
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0165	0.0612	1
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0128	0.0437	0.0437
Brugia malayi	hypothetical protein	0.0984	0.4504	1
Brugia malayi	jmjC domain containing protein	0.0099	0.0295	0.0656
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0128	0.0437	0.5699
Loa Loa (eye worm)	TATA binding protein associated factor	0.0114	0.0367	0.0367
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0151	0.0544	0.0544
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0114	0.0367	0.0367
Brugia malayi	hypothetical protein	0.0114	0.0367	0.0815
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0114	0.0367	0.3996
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0128	0.0437	0.0437
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0114	0.0367	0.0367
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0114	0.0367	0.3996
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0114	0.0367	0.0367
Trypanosoma cruzi	aminopeptidase, putative	0.0114	0.0367	0.3996
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0114	0.0367	0.3996

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 mg kg-1	Anticonvulsant activity in rats after oral administration of 30 mg/kg dose(effective dosage);ND = No Data	ChEMBL.	6864737
Reactors/Test group (functional)	= 0	Tested for anticonvulsant activity in 3 rats after oral administration of 30 mg/kg po dose for protection against maximal electroshock in rat MES test; 0/3	ChEMBL.	6864737
Reactors/Test group (functional)	= 0	Tested anticonvulsant activity in 6 rats after oral administration of 30 mg/kg po dose for rotorod performance; 0/6	ChEMBL.	6864737

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: CHEMBL177985

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 309699