TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.545 | Formula: C27H31FN2O3
H donors: 0 H acceptors: 0 LogP: 5.32 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OCc2ccc(cc2)CCN2CCN(CC2)c2ccccc2F)cc(c1)OC
InChi: 1S/C27H31FN2O3/c1-31-23-17-24(32-2)19-25(18-23)33-20-22-9-7-21(8-10-22)11-12-29-13-15-30(16-14-29)27-6-4-3-5-26(27)28/h3-10,17-19H,11-16,20H2,1-2H3
InChiKey: QVZYQRAHNDOLGU-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
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
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Toxoplasma gondii	cathepsin B	0.0557	0.3093	0.5233
Brugia malayi	eukaryotic initiation factor 4A	0.0256	0.053	0.053
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
Onchocerca volvulus		0.0889	0.5911	1
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
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	unspecified product	0.0476	0.2396	0.4054
Plasmodium vivax	RNA helicase-1, putative	0.0256	0.053	0.0896
Echinococcus granulosus	cathepsin l1	0.0889	0.5911	0.5911
Onchocerca volvulus		0.0889	0.5911	1
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
Onchocerca volvulus		0.0889	0.5911	1
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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0476	0.2396	0.4054
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
Trypanosoma cruzi	cruzipain precursor, putative	0.0889	0.5911	0.5911
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0889	0.5911	1
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	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
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0476	0.2396	0.3469
Entamoeba histolytica	cysteine proteinase 1, putative	0.0476	0.2396	0.4054
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0557	0.3093	0.4763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0256	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.0889	0.5911	0.5911
Trypanosoma cruzi	cysteine peptidase, putative	0.0282	0.0749	0.0749
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0256	0.053	0.053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin b	0.137	1	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 protease, putative	0.0476	0.2396	0.4054
Loa Loa (eye worm)	cysteine protease	0.0889	0.5911	0.5911
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0557	0.3093	0.3093
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Loa Loa (eye worm)	fibroinase	0.0889	0.5911	0.5911
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0889	0.5911	0.5911
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
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
Brugia malayi	Cathepsin L-like precursor	0.0607	0.3514	0.3514
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	0.0282	0.0749	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0607	0.3514	0.3514
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0607	0.3514	0.3514
Onchocerca volvulus	Cathepsin L homolog	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	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0889	0.5911	0.5911
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
Leishmania major	cysteine peptidase A (CPA)	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0557	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0476	0.2396	0.2396
Brugia malayi	Cathepsin L-like precursor	0.0607	0.3514	0.3514
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0476	0.2396	0.2396
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0607	0.3514	0.5946
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0476	0.2396	0.2396
Plasmodium vivax	vivapain-1	0.0476	0.2396	0.4054
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	cathepsin l1	0.0607	0.3514	0.3514
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0607	0.3514	0.3514
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0256	0.053	0.0896
Onchocerca volvulus	Cathepsin F homolog	0.0889	0.5911	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0256	0.053	0.5
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0749	0.0749
Loa Loa (eye worm)	cathepsin B	0.0557	0.3093	0.3093
Onchocerca volvulus		0.0607	0.3514	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
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
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0256	0.053	0.0896
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0256	0.053	0.0896
Plasmodium vivax	vivapain-2	0.0889	0.5911	1
Schistosoma mansoni	cathepsin s	0.0282	0.0749	0.0749
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0256	0.053	0.053
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
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0256	0.053	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0256	0.053	0.0896
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	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
Schistosoma mansoni	cathepsin F (C01 family)	0.0889	0.5911	0.5911
Echinococcus granulosus	cathepsin L	0.0476	0.2396	0.2396
Echinococcus multilocularis	cathepsin L	0.0476	0.2396	0.2396
Trypanosoma cruzi	cruzipain precursor, putative	0.0282	0.0749	0.0749
Leishmania major	cathepsin L-like protease	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin b	0.137	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Giardia lamblia	Cathepsin B precursor	0.0557	0.3093	1
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 L cysteine proteinase	0.0889	0.5911	0.5911
Echinococcus granulosus	cathepsin b	0.137	1	1
Treponema pallidum	ATP-dependent RNA helicase	0.0256	0.053	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.0476	0.2396	0.2396
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Entamoeba histolytica	cysteine proteinase, putative	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
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
Plasmodium vivax	vivapain-2	0.0889	0.5911	1
Echinococcus multilocularis	cysteine protease	0.0889	0.5911	0.5911
Entamoeba histolytica	cysteine proteinase, putative	0.0607	0.3514	0.5946
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
Echinococcus granulosus	cathepsin b	0.137	1	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0256	0.053	0.0896
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0889	0.5911	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0889	0.5911	0.5911
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
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
Brugia malayi	Cathepsin L-like precursor	0.0889	0.5911	0.5911
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
Brugia malayi	Papain family cysteine protease containing protein	0.0476	0.2396	0.2396
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0256	0.053	0.053
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	0.0476	0.2396	0.3469
Trypanosoma cruzi	cysteine peptidase, putative	0.0476	0.2396	0.2396
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0256	0.053	0.053
Brugia malayi	Papain family cysteine protease containing protein	0.0476	0.2396	0.2396
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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	1
Entamoeba histolytica	cysteine proteinase, putative	0.0476	0.2396	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0889	0.5911	0.5911
Plasmodium vivax	unspecified product	0.0282	0.0749	0.1268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0889	0.5911	1
Echinococcus multilocularis	cysteine protease	0.0889	0.5911	0.5911
Toxoplasma gondii	cathepsin CPL	0.0889	0.5911	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.137	1	1
Schistosoma mansoni	cathepsin F (C01 family)	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
Onchocerca volvulus		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
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0256	0.053	0.053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0889	0.5911	1
Entamoeba histolytica	cysteine protease, putative	0.0476	0.2396	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0749	0.0749
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0889	0.5911	0.5911
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0476	0.2396	0.4054
Echinococcus granulosus	cathepsin l cysteine peptidase	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	0.0889	0.5911	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0889	0.5911	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

ChEMBL: CHEMBL3545988

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 2075053