TDR Targets

Basic information

Technical information

TDR Targets ID: 281713
Name: 4-methoxy-N-(3-phenylphenyl)benzamide
MW: 303.354 | Formula: C20H17NO2
H donors: 1 H acceptors: 1 LogP: 4.35 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)Nc1cccc(c1)c1ccccc1
InChi: 1S/C20H17NO2/c1-23-19-12-10-16(11-13-19)20(22)21-18-9-5-8-17(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H,21,22)
InChiKey: HXKOLFZOERCMAG-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A3 receptor	Starlite/ChEMBL	References

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
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0199	0.6596	0.6596
Toxoplasma gondii	aldehyde dehydrogenase	0.0262	0.8971	1
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0023	0.0051	1
Schistosoma mansoni	succinate semialdehyde dehydrogenase	0.0044	0.0848	0.0848
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0023	0.0051	0.0051
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0029	0.0269	0.0269
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.007	0.1806	0.2013
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0029	0.0269	0.0269
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0023	0.0051	0.0057
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0023	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0044	0.0848	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0029	0.0269	0.0269
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0262	0.8971	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Echinococcus granulosus	ornithine aminotransferase	0.0023	0.0051	0.0057
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1806	1
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0044	0.0848	0.0945
Mycobacterium ulcerans	NAD-dependent aldehyde dehydrogenase AldA	0.0044	0.0848	0.0848
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0051	0.0057
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0262	0.8971	1
Brugia malayi	steroid hormone receptor	0.0029	0.0269	0.0269
Leishmania major	aldehyde dehydrogenase, putative	0.0044	0.0848	0.0945
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0023	0.0051	0.0051
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0269	0.0269
Echinococcus multilocularis	ornithine aminotransferase	0.0023	0.0051	0.0057
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0029	0.0269	0.03
Mycobacterium leprae	Possible D-ribose-binding protein	0.0264	0.905	1
Brugia malayi	follicle stimulating hormone receptor	0.0249	0.8487	0.8487
Schistosoma mansoni	aldehyde dehydrogenase	0.0262	0.8971	0.8971
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0094	0.2685	0.2685
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0029	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1038	0.1038
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0269	0.0269
Brugia malayi	nuclear hormone receptor	0.0029	0.0269	0.0269
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1038	0.1038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0029	0.0269	0.0269
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.0269	0.0269
Mycobacterium ulcerans	hypothetical protein	0.0032	0.04	0.04
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0257	0.878	0.878
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1038	0.1038
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0029	0.0269	0.03
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0078	0.2107	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0269	0.0269
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.007	0.1806	0.1806
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0199	0.6596	0.6596
Trichomonas vaginalis	aldehyde oxidase, putative	0.0199	0.6596	0.6596
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0029	0.0269	0.03
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0262	0.8971	0.8971
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (small chain)	0.0038	0.061	0.0679
Schistosoma mansoni	hypothetical protein	0.0034	0.0455	0.0455
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.007	0.1806	0.2013
Plasmodium falciparum	ornithine aminotransferase	0.0023	0.0051	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0249	0.8487	0.8487
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0023	0.0051	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0029	0.0269	0.0269
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0029	0.0269	0.03
Trichomonas vaginalis	glutaminase, putative	0.029	1	1
Mycobacterium ulcerans	NAD-dependent aldehyde dehydrogenase AldA	0.0044	0.0848	0.0848
Onchocerca volvulus	Protein ultraspiracle homolog	0.0029	0.0269	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0029	0.0269	0.03
Mycobacterium ulcerans	glutaminase	0.029	1	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.007	0.1806	1
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0067	0.1695	0.1695
Treponema pallidum	methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-1)	0.0264	0.905	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0269	0.0269
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0023	0.0051	0.0057
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.0269	0.0269
Echinococcus granulosus	succinate semialdehyde dehydrogenase	0.0044	0.0848	0.0945
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0029	0.0269	0.03
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0029	0.0269	0.03
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0023	0.0051	0.0057
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.0269	0.0269
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	0.0044	0.0848	0.0945
Brugia malayi	Steroid receptor seven-up type 2	0.0029	0.0269	0.0269
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0029	0.0269	0.0269
Brugia malayi	photoreceptor-specific nuclear receptor	0.0029	0.0269	0.0269
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0029	0.0269	0.0269
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0269	0.03
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0044	0.0848	0.4697
Mycobacterium ulcerans	L-lysine aminotransferase	0.0257	0.878	0.878
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.4918	0.4918
Treponema pallidum	quinoline 2-oxidoreductase	0.0032	0.0372	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0848	0.0848
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0455	0.0455
Schistosoma mansoni	hypothetical protein	0.0125	0.3846	0.3846
Schistosoma mansoni	coup transcription factor	0.0029	0.0269	0.0269
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0029	0.0269	0.0269
Plasmodium vivax	ornithine aminotransferase, putative	0.0023	0.0051	1
Loa Loa (eye worm)	glutaminase	0.029	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0029	0.0269	0.0269
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0059	0.139	0.139
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0262	0.8971	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0262	0.8971	0.8971
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0023	0.0051	0.0051
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0269	0.03
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0023	0.0051	0.0057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0029	0.0269	0.0269
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1806	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0029	0.0269	0.03
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0029	0.0269	0.0269
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.007	0.1806	0.1806
Brugia malayi	glutaminase DH11.1	0.029	1	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0051	0.0051
Schistosoma mansoni	retinoic acid receptor RXR	0.0029	0.0269	0.0269
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0094	0.2685	0.2685
Treponema pallidum	hypothetical protein	0.0032	0.04	0.0442
Echinococcus granulosus	FTZ F1 alpha	0.0029	0.0269	0.03
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.4918	0.4918
Onchocerca volvulus		0.0029	0.0269	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.3846	0.4287
Echinococcus granulosus	ecdysone induced protein 78C	0.0029	0.0269	0.03
Echinococcus multilocularis	ecdysone induced protein 78C	0.0029	0.0269	0.03
Treponema pallidum	hypothetical protein	0.0027	0.0187	0.0207
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.007	0.1806	0.2013
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0262	0.8971	0.8971
Brugia malayi	Succinate semialdehyde dehydrogenase, mitochondrial precursor	0.0044	0.0848	0.0848
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0269	0.03
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0038	0.061	0.061
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+])	0.0044	0.0848	0.0945
Trypanosoma brucei	aldehyde dehydrogenase, putative	0.0044	0.0848	0.4697
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0078	0.2107	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0455	0.0455
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0094	0.2685	0.2993
Brugia malayi	ecdysteroid receptor	0.0029	0.0269	0.0269
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0154	0.4918	0.5482
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Echinococcus multilocularis	transcription factor Dp 1	0.0041	0.0707	0.0788
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0067	0.1695	0.1695
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0029	0.0269	0.0269
Onchocerca volvulus	Bile acid receptor homolog	0.0029	0.0269	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0262	0.8971	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0029	0.0269	0.0269
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0023	0.0051	0.0057
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.007	0.1806	0.1806
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0023	0.0051	0.0051
Mycobacterium ulcerans	succinate-semialdehyde dehydrogenase	0.0044	0.0848	0.0848
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0269	0.03
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0848	0.0848
Schistosoma mansoni	glutaminase	0.029	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0029	0.0269	0.0269
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0023	0.0051	0.0051
Echinococcus granulosus	transcription factor Dp 1	0.0041	0.0707	0.0788
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0029	0.0269	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0029	0.0269	0.03
Echinococcus granulosus	Aminotransferase class III	0.0023	0.0051	0.0057
Treponema pallidum	methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-2)	0.0264	0.905	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0023	0.0051	0.0057
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.3846	0.4287
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1038	0.1038
Echinococcus multilocularis	Aminotransferase class III	0.0023	0.0051	0.0057
Schistosoma mansoni	RAR-like nuclear receptor	0.0029	0.0269	0.0269
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0029	0.0269	0.0269
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0023	0.0051	0.0051
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0257	0.878	0.9787
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0038	0.061	0.061
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0023	0.0051	0.0051
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0029	0.0269	0.03
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0029	0.0269	0.0269
Toxoplasma gondii	NADP-dependent succinate-semialdehyde dehydrogenase	0.0044	0.0848	0.0945
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0131	0.4098	0.4098
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0269	0.0269
Mycobacterium leprae	PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD	0.0044	0.0848	0.0886
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0262	0.8971	0.8971
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0067	0.1695	0.1889
Brugia malayi	nuclear receptor NHR-88	0.0029	0.0269	0.0269
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.007	0.1806	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Displacement (binding)	= 30 %	Displacement of [3H]-DPCPX binding in adenosine A1 receptor of rat brain cortical membrane at a concentration of 10 microM	ChEMBL.	11262085
Displacement (binding)	= 30 %	Displacement of [3H]-DPCPX binding in adenosine A1 receptor of rat brain cortical membrane at a concentration of 10 microM	ChEMBL.	11262085
Displacement (binding)	= 41 %	Displacement of [3H]-CGS-21,680 or [3H]-ZM-241,385 binding in adenosine A2A receptor of rat striatal membrane at 10 microM	ChEMBL.	11262085
Displacement (binding)	= 41 %	Displacement of [3H]-CGS-21,680 or [3H]-ZM-241,385 binding in adenosine A2A receptor of rat striatal membrane at 10 microM	ChEMBL.	11262085
Ki (binding)	= 10 uM	Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells	ChEMBL.	11262085
Ki (binding)	= 10 uM	Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells	ChEMBL.	11262085

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: CHEMBL164783
PubChem: 10828275

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 281713