TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 311.378 | Formula: C18H21N3O2
H donors: 2 H acceptors: 2 LogP: 1.76 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1Oc2ccc(cc2C=C1C(=O)N[C@@H]1CC[C@@H](CC1)N)C#N
InChi: 1S/C18H21N3O2/c1-11-16(18(22)21-15-5-3-14(20)4-6-15)9-13-8-12(10-19)2-7-17(13)23-11/h2,7-9,11,14-15H,3-6,20H2,1H3,(H,21,22)/t11?,14-,15+
InChiKey: YBTKLZBUVIRVRA-PHTAMDTFSA-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
Onchocerca volvulus		0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Onchocerca volvulus		0.0889	0.5911	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0476	0.2396	0.2396
Schistosoma mansoni	cathepsin F (C01 family)	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0476	0.2396	0.4054
Brugia malayi	cathepsin L-like precursor	0.0607	0.3514	0.3514
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0889	0.5911	0.5911
Plasmodium vivax	RNA helicase-1, putative	0.0256	0.053	0.0896
Echinococcus granulosus	cathepsin l1	0.0889	0.5911	0.5911
Plasmodium vivax	unspecified product	0.0476	0.2396	0.4054
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0256	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.137	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.137	1	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Onchocerca volvulus		0.0889	0.5911	1
Onchocerca volvulus	Cathepsin L homolog	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0607	0.3514	0.3514
Onchocerca volvulus		0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Brugia malayi	eukaryotic initiation factor 4A	0.0256	0.053	0.053
Toxoplasma gondii	cathepsin B	0.0557	0.3093	0.5233
Loa Loa (eye worm)	hypothetical protein	0.0889	0.5911	0.5911
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0256	0.053	0.053
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0256	0.053	0.053
Trypanosoma cruzi	cysteine peptidase, putative	0.0282	0.0749	0.0749
Echinococcus multilocularis	cathepsin b	0.137	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0476	0.2396	0.2396
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0476	0.2396	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0476	0.2396	0.3469
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0557	0.3093	0.4763
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0607	0.3514	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0889	0.5911	0.5911
Plasmodium vivax	vivapain-3	0.0476	0.2396	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0889	0.5911	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0889	0.5911	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0889	0.5911	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0607	0.3514	0.3514
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0889	0.5911	0.5911
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0889	0.5911	1
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0749	0.0749
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0282	0.0749	0.0749
Trypanosoma cruzi	cysteine peptidase, putative	0.0889	0.5911	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0607	0.3514	0.3514
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0889	0.5911	0.5911
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0889	0.5911	1
Brugia malayi	Cathepsin L-like precursor	0.0607	0.3514	0.3514
Entamoeba histolytica	cysteine proteinase, putative	0.0889	0.5911	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0256	0.053	0.0896
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0557	0.3093	0.3093
Loa Loa (eye worm)	cysteine protease	0.0889	0.5911	0.5911
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Loa Loa (eye worm)	fibroinase	0.0889	0.5911	0.5911
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Onchocerca volvulus	Cathepsin F homolog	0.0889	0.5911	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0256	0.053	0.0896
Onchocerca volvulus		0.0607	0.3514	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0749	0.0749
Loa Loa (eye worm)	cathepsin B	0.0557	0.3093	0.3093
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0256	0.053	0.5
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Echinococcus granulosus	cathepsin l1	0.0607	0.3514	0.3514
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0607	0.3514	0.3514
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0607	0.3514	0.5946
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0476	0.2396	0.2396
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0476	0.2396	0.2396
Plasmodium vivax	vivapain-1	0.0476	0.2396	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Leishmania major	cysteine peptidase A (CPA)	0.0889	0.5911	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.0607	0.3514	0.3514
Brugia malayi	cathepsin F-like cysteine proteinase	0.0282	0.0749	0.0749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0557	0.3093	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0607	0.3514	0.3514
Trypanosoma cruzi	cysteine proteinase, putative	0.0476	0.2396	0.2396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0889	0.5911	0.5911
Brugia malayi	Papain family cysteine protease containing protein	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0557	0.3093	0.5233
Trypanosoma cruzi	cruzipain precursor, putative	0.0282	0.0749	0.0749
Echinococcus multilocularis	cathepsin L	0.0476	0.2396	0.2396
Echinococcus granulosus	cathepsin L	0.0476	0.2396	0.2396
Schistosoma mansoni	cathepsin F (C01 family)	0.0889	0.5911	0.5911
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0256	0.053	0.053
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0256	0.053	0.0896
Schistosoma mansoni	cathepsin s	0.0282	0.0749	0.0749
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0256	0.053	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0476	0.2396	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0256	0.053	0.0896
Plasmodium vivax	vivapain-2	0.0889	0.5911	1
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0256	0.053	0.0896
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Entamoeba histolytica	cysteine proteinase 2	0.0476	0.2396	0.4054
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0256	0.053	0.1713
Echinococcus multilocularis	cysteine protease	0.0889	0.5911	0.5911
Plasmodium vivax	vivapain-2	0.0889	0.5911	1
Entamoeba histolytica	cysteine proteinase, putative	0.0607	0.3514	0.5946
Trypanosoma cruzi	cysteine proteinase, putative	0.0476	0.2396	0.2396
Entamoeba histolytica	cysteine proteinase, putative	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trypanosoma cruzi	cysteine protease, putative	0.0476	0.2396	0.2396
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0282	0.0749	0.0749
Onchocerca volvulus		0.0889	0.5911	1
Treponema pallidum	ATP-dependent RNA helicase	0.0256	0.053	0.5
Echinococcus multilocularis	cathepsin b	0.137	1	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	1
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0889	0.5911	0.5911
Brugia malayi	Cathepsin L-like precursor	0.0282	0.0749	0.0749
Echinococcus granulosus	cathepsin b	0.137	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0256	0.053	0.053
Brugia malayi	Papain family cysteine protease containing protein	0.0476	0.2396	0.2396
Trypanosoma cruzi	cysteine peptidase, putative	0.0476	0.2396	0.2396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0476	0.2396	0.3469
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0256	0.053	0.053
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0476	0.2396	0.2396
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Brugia malayi	Papain family cysteine protease containing protein	0.0476	0.2396	0.2396
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0557	0.3093	0.4763
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Loa Loa (eye worm)	ctsf protein	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0256	0.053	0.0896
Echinococcus granulosus	cathepsin b	0.137	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0889	0.5911	0.5911
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.137	1	1
Echinococcus granulosus	cysteine protease	0.0476	0.2396	0.2396
Entamoeba histolytica	cysteine protease, putative	0.0889	0.5911	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0256	0.053	0.053
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0889	0.5911	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0749	0.0749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0889	0.5911	0.5911
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0476	0.2396	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0607	0.3514	0.3514
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Onchocerca volvulus		0.0889	0.5911	1
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0256	0.053	0.0896
Onchocerca volvulus		0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Plasmodium vivax	unspecified product	0.0282	0.0749	0.1268
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0889	0.5911	0.5911
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Toxoplasma gondii	cathepsin CPL	0.0889	0.5911	1
Echinococcus multilocularis	cysteine protease	0.0889	0.5911	0.5911

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: CHEMBL3545986

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 2075052