TDR Targets

Basic information

Technical information

TDR Targets ID: 1804084
Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(phenylmeth oxy)benzamide
MW: 377.433 | Formula: C23H23NO4
H donors: 1 H acceptors: 1 LogP: 4.1 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNC(=O)c2ccc(cc2)OCc2ccccc2)ccc1OC
InChi: 1S/C23H23NO4/c1-26-21-13-8-18(14-22(21)27-2)15-24-23(25)19-9-11-20(12-10-19)28-16-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,24,25)
InChiKey: KOPUJJNVTPJOKP-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

4-(benzyloxy)-N-(3,4-dimethoxybenzyl)benzamide
ZINC08111737

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	NADH-ubiquinone oxidoreductase chain 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR000883,Cytochrome c oxidase, subunit I;IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1,domain-containing	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing	Get druggable targets OG5_128714	All targets in OG5_128714
Candida albicans	NADH dehydrogenase subunit 1	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1,domain-containing	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing	Get druggable targets OG5_128714	All targets in OG5_128714
Echinococcus granulosus	NADH dehydrogenase subunit 1	Get druggable targets OG5_128714	All targets in OG5_128714
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000298,Cytochrome c oxidase, subunit III;IPR000568,ATPase, F0 compl	Get druggable targets OG5_128714	All targets in OG5_128714
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase subunit H	Get druggable targets OG5_128714	All targets in OG5_128714
Schistosoma japonicum	IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing	Get druggable targets OG5_128714	All targets in OG5_128714
Mycobacterium ulcerans	NADH dehydrogenase subunit H	Get druggable targets OG5_128714	All targets in OG5_128714

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	hypothetical protein	0.0137	0.0962	0.097
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Schistosoma mansoni	hypothetical protein	0.0179	0.1537	0.1549
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Schistosoma mansoni	protein kinase	0.0143	0.1032	0.104
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0143	0.1032	0.0963
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0143	0.1032	0.104
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Brugia malayi	Cell division protein kinase 2	0.0143	0.1032	0.104
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Brugia malayi	Protein kinase domain containing protein	0.0092	0.0339	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Onchocerca volvulus		0.0137	0.0962	1
Loa Loa (eye worm)	cuticular endochitinase	0.0087	0.0265	0.0265
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0143	0.1032	0.1032
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0143	0.1032	0.1371
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0137	0.0962	0.097
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0143	0.1032	0.1032
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trypanosoma brucei	protein kinase, putative	0.0143	0.1032	0.0963
Loa Loa (eye worm)	hypothetical protein	0.0086	0.026	0.026
Echinococcus multilocularis	dual specificity	0.0617	0.7527	0.7587
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Echinococcus granulosus	mitogen activated protein kinase 15	0.0143	0.1032	0.104
Brugia malayi	endochitinase	0.0097	0.0408	0.0411
Echinococcus granulosus	carboxylesterase 5A	0.0398	0.4531	0.4567
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0143	0.1032	0.0963
Entamoeba histolytica	cell division protein kinase 2, putative	0.0143	0.1032	0.1056
Entamoeba histolytica	hypothetical protein	0.0137	0.0952	0.0946
Echinococcus multilocularis	acetylcholinesterase	0.0398	0.4531	0.4567
Schistosoma mansoni	serine/threonine kinase	0.0143	0.1032	0.104
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Schistosoma mansoni	serine/threonine protein kinase	0.0143	0.1032	0.104
Echinococcus multilocularis	dual specificity	0.0617	0.7527	0.7587
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0143	0.1032	0.104
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.0339	0.0342
Onchocerca volvulus	Putative endochitinase	0.0097	0.0408	0.4242
Loa Loa (eye worm)	haspin protein kinase	0.0791	0.9921	0.9921
Entamoeba histolytica	protein kinase, putative	0.0092	0.0339	0.0102
Entamoeba histolytica	protein kinase, putative	0.0617	0.7527	1
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0143	0.1032	0.0963
Echinococcus granulosus	dual specificity	0.0092	0.0339	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Onchocerca volvulus	Putative endochitinase	0.0097	0.0408	0.4242
Brugia malayi	Endochitinase	0.0097	0.0408	0.0411
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Mycobacterium ulcerans	chitinase/cellulase	0.0074	0.009	0.0588
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0791	0.9921	1
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0143	0.1032	0.104
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0137	0.0962	0.097
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0791	0.9921	1
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0143	0.1032	0.104
Echinococcus granulosus	acetylcholinesterase	0.0398	0.4531	0.4567
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0143	0.1032	1
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0137	0.0952	0.096
Onchocerca volvulus	Putative endochitinase	0.0097	0.0408	0.4242
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0092	0.0339	0.0339
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Entamoeba histolytica	protein kinase domain containing protein	0.0143	0.1032	0.1056
Trichomonas vaginalis	CMGC family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0398	0.4531	0.4531
Onchocerca volvulus	Putative endochitinase	0.0087	0.0265	0.2755
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Echinococcus granulosus	acetylcholinesterase	0.0398	0.4531	0.4567
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase subunit H	0.0179	0.1537	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Brugia malayi	endochitinase	0.0087	0.0265	0.0267
Plasmodium falciparum	MO15-related protein kinase	0.0143	0.1032	1
Echinococcus multilocularis	cyclin dependent kinase 9	0.0143	0.1032	0.104
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0791	0.9921	1
Brugia malayi	GSG2	0.0791	0.9921	1
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0143	0.1032	1
Mycobacterium ulcerans	NADH dehydrogenase subunit H	0.0179	0.1537	1
Echinococcus multilocularis	acetylcholinesterase	0.0398	0.4531	0.4567
Echinococcus granulosus	dual specificity	0.0617	0.7527	0.7587
Loa Loa (eye worm)	hypothetical protein	0.0086	0.026	0.026
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0617	0.7527	1
Echinococcus multilocularis	dual specificity	0.0617	0.7527	0.7587
Onchocerca volvulus		0.0137	0.0962	1
Giardia lamblia	Kinase, CMGC DYRK	0.0617	0.7527	1
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0962	0.0962
Echinococcus multilocularis	carboxylesterase 5A	0.0398	0.4531	0.4567
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0398	0.4531	0.4567
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0962	0.0962
Brugia malayi	Protein kinase domain containing protein	0.0143	0.1032	0.104
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0791	0.9921	1
Leishmania major	serine/threonine kinase-like protein, putative	0.0143	0.1032	0.1056
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0617	0.7527	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0143	0.1032	0.0963
Loa Loa (eye worm)	acetylcholinesterase 1	0.0398	0.4531	0.4531
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	microfilarial chitinase	0.0084	0.0233	0.0233
Brugia malayi	Carboxylesterase family protein	0.0398	0.4531	0.4567
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0137	0.0962	0.097
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0092	0.0339	0.0102
Echinococcus multilocularis	dual specificity	0.0092	0.0339	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Entamoeba histolytica	protein kinase domain containing protein	0.0092	0.0339	0.0102
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CMGC family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Brugia malayi	Carboxylesterase family protein	0.0398	0.4531	0.4567
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0143	0.1032	0.104
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Schistosoma mansoni	serine/threonine protein kinase	0.0617	0.7527	0.7587
Loa Loa (eye worm)	haspin protein kinase	0.0791	0.9921	0.9921
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0143	0.1032	0.1056
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	0.0179	0.1537	1
Entamoeba histolytica	hypothetical protein	0.0092	0.0339	0.0102
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Entamoeba histolytica	protein kinase domain containing protein	0.0617	0.7527	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0791	0.9921	1
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0398	0.4531	0.4531
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Entamoeba histolytica	protein kinase, putative	0.0092	0.0339	0.0102
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Mycobacterium ulcerans	chitinase/cellulase	0.0074	0.009	0.0588
Echinococcus granulosus	NADH dehydrogenase subunit 1	0.0179	0.1537	0.1549
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CMGC family protein kinase	0.0617	0.7527	1
Trichomonas vaginalis	CMGC family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	serine/threonine kinase, putative	0.0143	0.1032	0.1371
Mycobacterium tuberculosis	Possible chitinase	0.0074	0.009	0.0588
Brugia malayi	hypothetical protein	0.0791	0.9921	1
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0617	0.7527	1
Schistosoma mansoni	hypothetical protein	0.0791	0.9921	1
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0143	0.1032	0.1371
Onchocerca volvulus	Putative endochitinase	0.0087	0.0265	0.2755
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Schistosoma mansoni	hypothetical protein	0.0137	0.0952	0.096
Echinococcus multilocularis	hypothetical protein	0.0137	0.0952	0.096
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0617	0.7527	1
Echinococcus granulosus	dual specificity	0.0617	0.7527	0.7587
Echinococcus granulosus	cyclin dependent kinase 9	0.0143	0.1032	0.104
Loa Loa (eye worm)	carboxylesterase	0.0398	0.4531	0.4531
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0617	0.7527	0.7587
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	chitinase I	0.0087	0.0265	0.0265
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CMGC family protein kinase	0.0143	0.1032	0.1371
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0074	0.009	0.009
Echinococcus granulosus	dual specificity	0.0617	0.7527	0.7587
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0617	0.7527	0.7527
Trichomonas vaginalis	CAMK family protein kinase	0.0143	0.1032	0.1371

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.44	Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed as NADH-DB reductase activity	ChEMBL.	8573592

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: CHEMBL2273111

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 1804084