TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 607.05 | Formula: C42H74N2++
H donors: 0 H acceptors: 0 LogP: 17.04 Rotable bonds: 31
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCCC[n+]1cccc(c1)c1ccc[n+](c1)CCCCCCCCCCCCCCCC
InChi: 1S/C42H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-43-37-31-33-41(39-43)42-34-32-38-44(40-42)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37-40H,3-30,35-36H2,1-2H3/q+2
InChiKey: HWPCWQKEEBKSBU-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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Loa Loa (eye worm)	brahma associated protein	0.0238	0.6887	0.6799
Trypanosoma brucei	hypothetical protein, conserved	0.0085	0.1643	0.6123
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Schistosoma mansoni	RNA binding protein	0.0085	0.1643	0.1643
Onchocerca volvulus		0.0062	0.0871	0.0899
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0085	0.1643	0.1643
Loa Loa (eye worm)	cysteine protease	0.0062	0.0871	0.0611
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0085	0.1643	0.1643
Schistosoma mansoni	hypothetical protein	0.0238	0.6887	0.6887
Echinococcus granulosus	ring and YY1 binding protein	0.0085	0.1643	0.1643
Echinococcus multilocularis	zinc finger protein Ran binding	0.0085	0.1643	0.1643
Giardia lamblia	Cathepsin B precursor	0.0115	0.2682	0.5
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1643	0.1404
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0277	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0062	0.0871	0.1265
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Plasmodium vivax	vivapain-2	0.0062	0.0871	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1643	0.1404
Schistosoma mansoni	hypothetical protein	0.0085	0.1643	0.1643
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0115	0.2682	0.2682
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0871	0.0871
Brugia malayi	SWIB/MDM2 domain containing protein	0.0238	0.6887	0.6887
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0062	0.0871	0.1265
Toxoplasma gondii	cathepsin B	0.0115	0.2682	0.3011
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0329	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0115	0.2682	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0277	0.0277
Giardia lamblia	Cathepsin B precursor	0.0115	0.2682	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0085	0.1643	0.1643
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0871	0.0871
Schistosoma mansoni	TRABID protein (C64 family)	0.0085	0.1643	0.1643
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0277	0.0403
Plasmodium vivax	hypothetical protein, conserved	0.0238	0.6887	1
Schistosoma mansoni	hypothetical protein	0.0238	0.6887	0.6887
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.0871	0.0871
Trichomonas vaginalis	conserved hypothetical protein	0.0238	0.6887	1
Schistosoma mansoni	brg-1 associated factor	0.0238	0.6887	0.6887
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Schistosoma mansoni	hypothetical protein	0.0238	0.6887	0.6887
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0238	0.6887	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0085	0.1643	0.2065
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0062	0.0871	0.0871
Leishmania major	hypothetical protein, conserved	0.0085	0.1643	0.4258
Echinococcus multilocularis	ring and YY1 binding protein	0.0085	0.1643	0.1643
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0085	0.1643	0.6123
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1643	0.1404
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0045	0.0277	0.0277
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0238	0.6887	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0238	0.6887	0.6887
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0115	0.2682	0.3895
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.0871	0.0611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0062	0.0871	0.1265
Onchocerca volvulus		0.0062	0.0871	0.0899
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0062	0.0871	0.0871
Brugia malayi	brahma associated protein 60 kDa	0.0238	0.6887	0.6887
Echinococcus granulosus	cathepsin b	0.0329	1	1
Onchocerca volvulus		0.0085	0.1643	0.2065
Loa Loa (eye worm)	fibroinase	0.0062	0.0871	0.0611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Brugia malayi	YY1-associated factor 2	0.0085	0.1643	0.1643
Echinococcus granulosus	cathepsin l1	0.0062	0.0871	0.0871
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0329	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0238	0.6887	0.6887
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0238	0.6887	0.6799
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0085	0.1643	0.6123
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0871	0.0871
Entamoeba histolytica	cysteine proteinase, putative	0.0062	0.0871	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0085	0.1643	0.1643
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Echinococcus granulosus	cathepsin l1	0.0045	0.0277	0.0277
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0115	0.2682	0.2682
Onchocerca volvulus		0.0085	0.1643	0.2065
Loa Loa (eye worm)	ctsf protein	0.0062	0.0871	0.0611
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Onchocerca volvulus		0.0062	0.0871	0.0899
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0085	0.1643	0.1643
Echinococcus multilocularis	cathepsin b	0.0329	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0238	0.6887	0.6887
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.1643	0.1643
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0085	0.1643	0.1282
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Echinococcus granulosus	Zinc finger RanBP2 type	0.0085	0.1643	0.1643
Onchocerca volvulus		0.0062	0.0871	0.0899
Onchocerca volvulus		0.0238	0.6887	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0062	0.0871	0.0871
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0085	0.1643	0.2385
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.1643	0.1643
Schistosoma mansoni	cathepsin F (C01 family)	0.0062	0.0871	0.0871
Echinococcus multilocularis	cysteine protease	0.0062	0.0871	0.0871
Leishmania major	hypothetical protein, conserved	0.0085	0.1643	0.4258
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0062	0.0871	0.0871
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Loa Loa (eye worm)	cathepsin B	0.0115	0.2682	0.2474
Leishmania major	hypothetical protein, conserved	0.0085	0.1643	0.4258
Chlamydia trachomatis	SWIB complex protein	0.0238	0.6887	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0085	0.1643	0.1643
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.1643	0.1643
Onchocerca volvulus		0.0085	0.1643	0.2065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0062	0.0871	0.1265
Echinococcus multilocularis	SWI:SNF matrix associated	0.0238	0.6887	0.6887
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0062	0.0871	0.0871
Echinococcus multilocularis	cathepsin L cysteine protease	0.0062	0.0871	0.0871
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Onchocerca volvulus		0.0085	0.1643	0.2065
Onchocerca volvulus	Cathepsin L homolog	0.0062	0.0871	0.0899
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0085	0.1643	0.1643
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0871	0.0871
Onchocerca volvulus		0.0062	0.0871	0.0899
Schistosoma mansoni	fusion	0.0085	0.1643	0.1643
Onchocerca volvulus		0.0062	0.0871	0.0899
Echinococcus multilocularis	cysteine protease	0.0062	0.0871	0.0871
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.1643	0.1643
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0277	0.0277
Toxoplasma gondii	ran binding protein	0.0085	0.1643	0.1282
Onchocerca volvulus	Cathepsin L homolog	0.0062	0.0871	0.0899
Entamoeba histolytica	cysteine protease, putative	0.0062	0.0871	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0062	0.0871	0.0871
Brugia malayi	cathepsin L-like precursor	0.0045	0.0277	0.0277
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0871	0.0871
Schistosoma mansoni	zinc finger protein	0.0085	0.1643	0.1643
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0115	0.2682	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0238	0.6887	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0062	0.0871	0.0611
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0045	0.0277	0.0277
Echinococcus granulosus	cathepsin b	0.0329	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0329	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0085	0.1643	0.1643
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0085	0.1643	0.1643
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Trypanosoma brucei	hypothetical protein, conserved	0.0085	0.1643	0.6123
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0277	0.0403
Echinococcus multilocularis	SWI:SNF matrix associated	0.0238	0.6887	0.6887
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1643	0.1404
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1643	0.1404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Giardia lamblia	Cathepsin B precursor	0.0115	0.2682	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0238	0.6887	0.6887
Chlamydia trachomatis	DNA topoisomerase I	0.0238	0.6887	0.5
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Leishmania major	hypothetical protein, conserved	0.0085	0.1643	0.4258
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Onchocerca volvulus	Cathepsin F homolog	0.0062	0.0871	0.0899
Echinococcus multilocularis	SWI:SNF matrix associated	0.0238	0.6887	0.6887
Leishmania major	hypothetical protein, conserved	0.0085	0.1643	0.4258
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0238	0.6887	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0871	0.1265
Onchocerca volvulus		0.0062	0.0871	0.0899
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0062	0.0871	0.1265
Trypanosoma cruzi	WLM domain containing protein, putative	0.0085	0.1643	0.1643
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.1643	0.1643
Plasmodium vivax	vivapain-2	0.0062	0.0871	0.1265
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0871	0.0871
Echinococcus multilocularis	cathepsin b	0.0329	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0871	0.0611
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0085	0.1643	0.1643
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0238	0.6887	1
Entamoeba histolytica	cysteine proteinase, putative	0.0062	0.0871	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0277	0.0277
Trypanosoma cruzi	hypothetical protein, conserved	0.0085	0.1643	0.1643
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.0871	0.1265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248
Trypanosoma cruzi	WLM domain containing protein, putative	0.0085	0.1643	0.1643
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0871	0.3248

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: CHEMBL3558139

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 1936480