TDR Targets

Basic information

Technical information

TDR Targets ID: 793291
Name: 3,4-dimethoxy-N-[1-[1-(2-methylpropyl)benzimi dazol-2-yl]ethyl]benzamide
MW: 381.468 | Formula: C22H27N3O3
H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C(=O)NC(c1nc2c(n1CC(C)C)cccc2)C
InChi: 1S/C22H27N3O3/c1-14(2)13-25-18-9-7-6-8-17(18)24-21(25)15(3)23-22(26)16-10-11-19(27-4)20(12-16)28-5/h6-12,14-15H,13H2,1-5H3,(H,23,26)
InChiKey: HPPHHEZPFSLVKA-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-[1-(1-isobutylbenzimidazol-2-yl)ethyl]-3,4-dimethoxy-benzamide
N-[1-(1-isobutyl-2-benzimidazolyl)ethyl]-3,4-dimethoxybenzamide
STOCK5S-72198

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	hypothetical protein	0.0146	0.099	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0081	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0089	0.0089
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0081	0.0122
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0081	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0074	0.046	0.046
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0081	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0081	0.0122
Echinococcus multilocularis	GA binding protein alpha chain	0.007	0.0434	0.0689
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0081	0.055
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0108	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0081	0.055
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0108	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.071	0.0704
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0081	0.055
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0081	0.0075
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0089	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0171	0.0171
Onchocerca volvulus		0.0146	0.099	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0089	1
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0171	0.0266
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0081	0.0075
Brugia malayi	ecdysteroid receptor	0.0022	0.0081	0.0075
Brugia malayi	hypothetical protein	0.0026	0.0108	0.0102
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0081	0.0617
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0012	0.0006	0.0006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0006	0.0006
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0089	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.0076	0.0113
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0171	0.0165
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0076	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0081	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0006	0.0006
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0081	0.0617
Schistosoma mansoni	hypothetical protein	0.018	0.1239	0.8388
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0081	0.055
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0081	0.0122
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0081	0.055
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0081	0.0122
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0081	0.0075
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0081	0.055
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0081	0.0075
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0081	0.0617
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0108	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0146	0.099	0.099
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0081	0.0075
Leishmania major	malonyl-coa decarboxylase-like protein	0.0542	0.3881	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0012	0.0006	0.0001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0006	0.0006
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0081	0.0122
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0081	0.0617
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0089	1
Loa Loa (eye worm)	fli-1 protein	0.0213	0.1477	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0089	0.0089
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0089	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0171	0.1157
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0006	0.004
Loa Loa (eye worm)	hypothetical protein	0.0108	0.071	0.071
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0171	0.0171
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0047	0.139
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0081	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0047	0.0047
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0081	0.055
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0081	0.0075
Entamoeba histolytica	recQ family helicase, putative	0.0021	0.0076	0.8468
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0081	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0047	0.0047
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.0076	0.0113
Schistosoma mansoni	hypothetical protein	0.0034	0.0171	0.1157
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0081	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Schistosoma mansoni	hypothetical protein	0.0074	0.046	0.3117
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0089	1
Loa Loa (eye worm)	RecQ helicase	0.0021	0.0076	0.0076
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0076	0.007
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0047	0.0047
Brugia malayi	nuclear hormone receptor	0.0022	0.0081	0.0075
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0089	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0081	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0081	0.0075
Onchocerca volvulus		0.0023	0.0089	0.0087
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.071	0.0704
Echinococcus granulosus	GPCR family 2	0.0034	0.0171	0.1344
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0089	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0005	0.0035
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0047	0.5
Schistosoma mansoni	gabp alpha	0.007	0.0434	0.2937
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.0076	0.0113
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0081	0.0081
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0089	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0108	1
Brugia malayi	Ets-domain containing protein	0.007	0.0434	0.0428
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0081	0.055
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.007	0.0434	0.0434
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0108	1
Echinococcus granulosus	bloom syndrome protein	0.0021	0.0076	0.0571
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0089	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0012	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0034	0.0171	0.1157
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0089	0.0083
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0089	0.5
Wolbachia endosymbiont of Brugia malayi	malonyl-CoA decarboxylase	0.138	1	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0081	0.0122
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0108	0.0085
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0081	0.055
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0081	0.0122
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0076	0.4696
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0081	0.0617
Trypanosoma brucei	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0542	0.3881	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0108	0.0108
Echinococcus granulosus	GA binding protein alpha chain	0.007	0.0434	0.3475
Brugia malayi	Fli-1 protein	0.0213	0.1477	0.1472
Giardia lamblia	Sgs1 DNA helicase, putative	0.0021	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0047	0.0047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0081	0.0081
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.071	0.071
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0081	0.055
Echinococcus granulosus	geminin	0.018	0.1239	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0108	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0006	0.0006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0089	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0081	0.0075
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.0076	0.0571
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0081	0.0075
Brugia malayi	Ets-domain containing protein	0.007	0.0434	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Brugia malayi	steroid hormone receptor	0.0022	0.0081	0.0075
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0089	0.0083
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0012	0.0006	0.004
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0076	0.6995
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0076	0.007
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0021	0.0076	0.4696
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0171	0.0266
Schistosoma mansoni	DNA helicase recq5	0.0021	0.0076	0.0511
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0081	0.0617
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0542	0.3881	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.046	0.0455
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0089	0.0036
Loa Loa (eye worm)	hypothetical protein	0.006	0.0359	0.0359
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0089	0.0083
Echinococcus multilocularis	geminin	0.018	0.1239	0.1983
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0081	0.0617
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0047	0.4333
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.0076	0.5
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0076	0.6995
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0171	0.0266
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0171	0.1344
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0081	0.0081
Schistosoma mansoni	hypothetical protein	0.0034	0.0171	0.1157
Schistosoma mansoni	DNA helicase recq1	0.0021	0.0076	0.0511
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0081	0.0081
Schistosoma mansoni	hypothetical protein	0.018	0.1239	0.8388
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0081	0.0075
Treponema pallidum	ATP-dependent DNA helicase	0.0011	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0081	0.055
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0081	0.0122
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0089	1
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0081	0.0617
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0081	0.0081
Leishmania major	hypothetical protein, conserved	0.0026	0.0108	0.0085
Schistosoma mansoni	coup transcription factor	0.0022	0.0081	0.055
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.0076	0.007
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0863	0.6224	1
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.0542	0.3881	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0089	0.0036
Schistosoma mansoni	ets-related	0.0213	0.1477	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0171	0.1344
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0171	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0006	0.0006
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0081	0.055
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0089	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0089	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0081	0.0081
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0089	0.5
Loa Loa (eye worm)	hypothetical protein	0.138	1	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.0076	0.0076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0081	0.0081
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0076	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0081	0.0075
Brugia malayi	hypothetical protein	0.0016	0.0042	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0076	0.0076
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.0076	0.0571

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 793291