TDR Targets

Basic information

Technical information

TDR Targets ID: 793230
Name: 3,4,5-trimethoxy-N-[3-(1-prop-2-enylbenzimida zol-2-yl)propyl]benzamide
MW: 409.478 | Formula: C23H27N3O4
H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(CCCNC(=O)c2cc(OC)c(c(c2)OC)OC)nc2c1cccc2
InChi: 1S/C23H27N3O4/c1-5-13-26-18-10-7-6-9-17(18)25-21(26)11-8-12-24-23(27)16-14-19(28-2)22(30-4)20(15-16)29-3/h5-7,9-10,14-15H,1,8,11-13H2,2-4H3,(H,24,27)
InChiKey: WNIGVBOWNMCRKN-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

N-[3-(1-allylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxy-benzamide
N-[3-(1-allyl-2-benzimidazolyl)propyl]-3,4,5-trimethoxybenzamide
ST5116680

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
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Schistosoma mansoni	hypothetical protein	0.0018	0.0222	0.0506
Trichomonas vaginalis	rotamase, putative	0.0034	0.0735	1
Onchocerca volvulus		0.0017	0.019	0.1447
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.019	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.119	0.2953
Schistosoma mansoni	hypothetical protein	0.0018	0.0222	0.0506
Echinococcus granulosus	expressed protein	0.0034	0.0735	0.0715
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.019	0.0169
Leishmania major	cathepsin L-like protease	0.0063	0.1628	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.019	0.0427
Schistosoma mansoni	hypothetical protein	0.0038	0.0852	0.2098
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.019	0.2455
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.071	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1394	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.019	0.1231
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.019	0.117
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0222	0.0201
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Onchocerca volvulus		0.0017	0.019	0.1447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0222	0.0032
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.019	0.1231
Loa Loa (eye worm)	ctsf protein	0.0017	0.019	0.1231
Onchocerca volvulus		0.0017	0.019	0.1447
Schistosoma mansoni	hypothetical protein	0.0018	0.0222	0.0506
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.019	0.2455
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Leishmania major	cathepsin L-like protease	0.0017	0.019	0.117
Echinococcus granulosus	cathepsin l1	0.0017	0.019	0.0169
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.071	0.4362
Plasmodium vivax	vivapain-2	0.0017	0.019	0.5
Leishmania major	cathepsin L-like protease	0.0017	0.019	0.117
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Leishmania major	cathepsin L-like protease	0.0017	0.019	0.117
Onchocerca volvulus		0.0017	0.019	0.1447
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0852	0.6047
Loa Loa (eye worm)	fibroinase	0.0017	0.019	0.1231
Trichomonas vaginalis	rotamase, putative	0.0034	0.071	0.9651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1394	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1628	1
Schistosoma mansoni	thyroid hormone receptor	0.014	0.3978	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1394	1
Loa Loa (eye worm)	cysteine protease	0.0017	0.019	0.1231
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.013	0.3659	0.3645
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.019	0.1447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.1211	0.7438
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus		0.0017	0.019	0.1447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Leishmania major	cathepsin L-like protease	0.0063	0.1628	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.019	0.237
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.019	0.117
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus		0.0017	0.019	0.1447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.019	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.019	0.1447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Plasmodium vivax	vivapain-2	0.0017	0.019	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0034	0.071	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0034	0.0735	0.5197
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0034	0.0735	0.5197
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.019	0.1231
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.071	0.4362
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.019	0.0169
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0222	0.0032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.014	0.3978	0.3861
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1628	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.1628	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus		0.0049	0.119	1
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.001	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0222	0.1459
Schistosoma mansoni	hypothetical protein	0.0018	0.0222	0.0506
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.1628	1
Leishmania major	cathepsin L-like protease	0.0017	0.019	0.117
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus		0.0017	0.019	0.1447
Echinococcus multilocularis	expressed protein	0.0034	0.0735	0.0555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Schistosoma mansoni	rotamase	0.0034	0.0735	0.1803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Echinococcus multilocularis	tumor protein p63	0.0336	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0222	0.1459
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.013	0.3659	0.3535
Toxoplasma gondii	cathepsin CPL	0.0017	0.019	0.2682
Schistosoma mansoni	thyroid hormone receptor	0.014	0.3978	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0852	0.6047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.1459	0.8961
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0222	0.0201
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.019	0.0427
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.071	0.4362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.019	0.2455
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0735	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.019	0.1231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Schistosoma mansoni	hypothetical protein	0.013	0.3659	0.9193
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0222	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0049	0.119	0.8509
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Brugia malayi	Cathepsin L-like precursor	0.0017	0.019	0.1231
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0222	0.1459
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.071	0.4362
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0222	0.0032
Echinococcus granulosus	GPCR family 2	0.0018	0.0222	0.0201
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.019	0.5
Leishmania major	cathepsin L-like protease	0.0063	0.1628	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.1628	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1394	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.019	0.237
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.019	0.1447
Leishmania major	cathepsin L-like protease	0.0017	0.019	0.117

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 793230