TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.574 | Formula: C28H34NO4+
H donors: 0 H acceptors: 0 LogP: 7.52 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCc1c2c(ccc(c2OC)OC)cc2[n+]1CCc1c2cc2c(c1)OCO2
InChi: 1S/C28H34NO4/c1-4-5-6-7-8-9-10-22-27-20(11-12-24(30-2)28(27)31-3)15-23-21-17-26-25(32-18-33-26)16-19(21)13-14-29(22)23/h11-12,15-17H,4-10,13-14,18H2,1-3H3/q+1
InChiKey: QHAWESAJXWNMKB-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
Loa Loa (eye worm)	cysteine protease	0.0018	0.0082	0.0184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Echinococcus multilocularis	cysteine protease	0.0018	0.0082	0.0014
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0067	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0067	0.0152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2035	0.4598
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0082	0.0375
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0569	0.1286
Schistosoma mansoni	serine/threonine protein kinase	0.0168	0.2189	0.2189
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0082	0.0184
Onchocerca volvulus		0.0018	0.0082	1
Entamoeba histolytica	protein kinase, putative	0.0328	0.4427	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0775	1
Trichomonas vaginalis	serine threonine-protein kinase, putative	0.0167	0.2175	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Echinococcus granulosus	muscleblind protein	0.0157	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0082	0.0184
Entamoeba histolytica	protein kinase, putative	0.0328	0.4427	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0569	0.1286
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0082	0.0014
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0082	0.0014
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0775	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0082	0.5
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0082	0.0184
Leishmania major	cathepsin L-like protease	0.0067	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0082	0.0375
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0082	0.0082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Onchocerca volvulus		0.0018	0.0082	1
Plasmodium vivax	vivapain-2	0.0018	0.0082	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0775	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Onchocerca volvulus	Cathepsin F homolog	0.0018	0.0082	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0082	0.5
Loa Loa (eye worm)	ctsf protein	0.0018	0.0082	0.0184
Echinococcus multilocularis	muscleblind protein	0.0157	0.2035	0.1981
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0082	0.0014
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0569	0.1286
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0775	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0067	0.0067
Schistosoma mansoni	microtubule-associated protein tau	0.0727	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0082	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Loa Loa (eye worm)	IRE protein kinase	0.0328	0.4427	1
Leishmania major	cathepsin L-like protease	0.0067	0.0775	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.0693	0.8824
Onchocerca volvulus	Cathepsin L homolog	0.0018	0.0082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0082	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0337	0.0761
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.2035	0.1981
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Echinococcus granulosus	cathepsin l1	0.0018	0.0082	0.0082
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0082	0.0184
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0067	0.0152
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Leishmania major	cathepsin L-like protease	0.0067	0.0775	1
Toxoplasma gondii	cathepsin CPL	0.0018	0.0082	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0082	0.0184
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0067	0.0067
Echinococcus granulosus	serine:threonine protein kinase:endoribonuclease	0.0328	0.4427	0.4427
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0569	0.1286
Onchocerca volvulus		0.0018	0.0082	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Echinococcus multilocularis	cysteine protease	0.0018	0.0082	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2035	0.4598
Echinococcus multilocularis	microtubule associated protein 2	0.0727	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0082	0.0375
Echinococcus granulosus	GPCR family 2	0.0017	0.0067	0.0067
Brugia malayi	Ribonuclease 2-5A family protein	0.0328	0.4427	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.0573	0.7098
Loa Loa (eye worm)	fibroinase	0.0018	0.0082	0.0184
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0337	0.0761
Brugia malayi	Muscleblind-like protein	0.0157	0.2035	0.4598
Plasmodium vivax	vivapain-2	0.0018	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0082	0.0184
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.2175	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0082	0.0082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0067	0.0152
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0082	0.0082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0082	0.0375
Onchocerca volvulus		0.0018	0.0082	1
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0082	0.0184
Onchocerca volvulus		0.0018	0.0082	1
Echinococcus multilocularis	serine:threonine protein kinase:endoribonuclease	0.0328	0.4427	0.4389
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0775	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0082	0.0184
Onchocerca volvulus		0.0018	0.0082	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0337	0.0337
Onchocerca volvulus		0.0018	0.0082	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: CHEMBL3139855

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1861544