TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.395 | Formula: C18H23N3
H donors: 2 H acceptors: 0 LogP: 4.77 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N/N=C\1/CCCc2c1[nH]c1c2cc(cc1)C1CCCCC1
InChi: 1S/C18H23N3/c19-21-17-8-4-7-14-15-11-13(12-5-2-1-3-6-12)9-10-16(15)20-18(14)17/h9-12,20H,1-8,19H2/b21-17+
InChiKey: PSOLFFUAWYTXCP-HEHNFIMWSA-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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0166	0.4474	0.2688
Entamoeba histolytica	cysteine proteinase, putative	0.0166	0.4474	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0216	0.6321	0.6321
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Brugia malayi	Cytochrome P450 family protein	0.0064	0.0784	0.0784
Echinococcus granulosus	cathepsin L cysteine protease	0.0166	0.4474	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0317	1	1
Echinococcus multilocularis	cathepsin b	0.0216	0.6321	0.6042
Onchocerca volvulus		0.0317	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0317	1	1
Onchocerca volvulus		0.0317	1	1
Leishmania major	cathepsin L-like protease	0.0317	1	1
Echinococcus granulosus	cathepsin b	0.0216	0.6321	0.6042
Leishmania major	cysteine peptidase A (CPA)	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0317	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0166	0.4474	0.2688
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0317	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0216	0.6321	0.6042
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0216	0.6321	0.6321
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0317	1	1
Schistosoma mansoni	cathepsin s	0.0103	0.2197	0.1604
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.0706	0.0706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0216	0.6321	0.6042
Trypanosoma cruzi	cysteine protease, putative	0.0166	0.4474	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2197	0.2197
Brugia malayi	Cathepsin L-like precursor	0.0317	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0216	0.6321	0.6042
Entamoeba histolytica	cysteine proteinase, putative	0.0166	0.4474	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0166	0.4474	0.4054
Toxoplasma gondii	cathepsin B	0.011	0.2443	0.1869
Loa Loa (eye worm)	hypothetical protein	0.0214	0.6232	0.6232
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Plasmodium vivax	unspecified product	0.0103	0.2197	0.1604
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0062	0.0706	0.0706
Plasmodium vivax	vivapain-3	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Echinococcus granulosus	cysteine protease	0.0166	0.4474	0.4054
Leishmania major	cathepsin L-like protease	0.0317	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Echinococcus multilocularis	cathepsin b	0.0216	0.6321	0.6042
Loa Loa (eye worm)	cytochrome P450 family protein	0.0064	0.0784	0.0784
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.011	0.2443	0.1869
Brugia malayi	Cathepsin L-like precursor	0.0317	1	1
Brugia malayi	Cathepsin L-like precursor	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Loa Loa (eye worm)	cysteine protease	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	fibroinase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	cathepsin B	0.011	0.2443	0.2443
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0214	0.6232	0.5946
Schistosoma mansoni	cathepsin F (C01 family)	0.0317	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0166	0.4474	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	1	1
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0706	0.0706
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Leishmania major	cathepsin L-like protease	0.0317	1	1
Onchocerca volvulus		0.0317	1	1
Brugia malayi	Cathepsin L-like precursor	0.0317	1	1
Leishmania major	cathepsin L-like protease	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Giardia lamblia	Cathepsin B precursor	0.011	0.2443	1
Echinococcus granulosus	cathepsin l1	0.0317	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0317	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0214	0.6232	0.5946
Loa Loa (eye worm)	ctsf protein	0.0317	1	1
Brugia malayi	Cathepsin L-like precursor	0.0214	0.6232	0.6232
Brugia malayi	cathepsin L-like precursor	0.0214	0.6232	0.6232
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.2197	0.1604
Plasmodium vivax	unspecified product	0.0166	0.4474	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0062	0.0706	0.0706
Entamoeba histolytica	cysteine proteinase, putative	0.0166	0.4474	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Leishmania major	cathepsin L-like protease	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Leishmania major	cathepsin L-like protease	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Brugia malayi	cathepsin L precursor	0.0062	0.0706	0.0706
Entamoeba histolytica	cysteine proteinase, putative	0.0317	1	1
Echinococcus granulosus	cathepsin b	0.0216	0.6321	0.6042
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0071	0.1031	0.035
Echinococcus granulosus	cathepsin l1	0.0214	0.6232	0.5946
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2197	0.2197
Brugia malayi	Papain family cysteine protease containing protein	0.0166	0.4474	0.4474
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0214	0.6232	0.5946
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0062	0.0706	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0214	0.6232	0.6232
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0214	0.6232	0.6232
Brugia malayi	fibroinase precursor	0.0062	0.0706	0.0706
Trypanosoma cruzi	cysteine peptidase, putative	0.0166	0.4474	0.4054
Onchocerca volvulus		0.0317	1	1
Plasmodium vivax	vivapain-2	0.0317	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0317	1	1
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Onchocerca volvulus		0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1031	0.1031
Brugia malayi	Papain family cysteine protease containing protein	0.0166	0.4474	0.4474
Onchocerca volvulus		0.0214	0.6232	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Plasmodium vivax	vivapain-2	0.0317	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0216	0.6321	0.6042
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0214	0.6232	0.6232
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0103	0.2197	0.2197
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0706	0.0706
Giardia lamblia	Cathepsin B precursor	0.011	0.2443	1
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Echinococcus multilocularis	cysteine protease	0.0317	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0317	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Schistosoma mansoni	cathepsin F (C01 family)	0.0317	1	1
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.011	0.2443	0.1869
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0214	0.6232	0.5946
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0062	0.0706	0.0706
Leishmania major	cathepsin L-like protease	0.0317	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0706	0.0706
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0062	0.0706	0.0706
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Plasmodium vivax	vivapain-1	0.0166	0.4474	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.0706	0.0706
Onchocerca volvulus		0.0317	1	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0062	0.0706	0.0706
Entamoeba histolytica	cysteine proteinase, putative	0.0317	1	1
Brugia malayi	Cathepsin L-like precursor	0.0103	0.2197	0.2197
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0103	0.2197	0.2197
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0071	0.1031	0.035
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.011	0.2443	0.1869
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0216	0.6321	0.6042
Brugia malayi	Cathepsin L-like precursor	0.0214	0.6232	0.6232
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0317	1	1
Leishmania major	cathepsin L-like protease	0.0317	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0166	0.4474	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0103	0.2197	0.1604
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	1	1
Entamoeba histolytica	cysteine protease, putative	0.0166	0.4474	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2197	0.2197
Brugia malayi	cathepsin F-like cysteine proteinase	0.0103	0.2197	0.2197
Schistosoma mansoni	cathepsin F (C01 family)	0.0214	0.6232	0.5946
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0317	1	1
Toxoplasma gondii	cathepsin CPL	0.0317	1	1
Onchocerca volvulus		0.0317	1	1
Echinococcus multilocularis	cysteine protease	0.0317	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0317	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0166	0.4474	0.4054
Giardia lamblia	Cathepsin B precursor	0.011	0.2443	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0706	0.0706
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0317	1	1
Brugia malayi	Cathepsin L-like precursor	0.0317	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0317	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0166	0.4474	0.4054
Onchocerca volvulus	Cathepsin F homolog	0.0317	1	1
Echinococcus multilocularis	cathepsin L	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0166	0.4474	0.4054
Echinococcus granulosus	cathepsin L	0.0166	0.4474	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0317	1	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 846698