TDR Targets

Basic information

Technical information

TDR Targets ID: 1713126
Name: N-(3,4-dimethylphenyl)-3-phenylpropanamide
MW: 253.339 | Formula: C17H19NO
H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(c(c1)C)C)CCc1ccccc1
InChi: 1S/C17H19NO/c1-13-8-10-16(12-14(13)2)18-17(19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,18,19)
InChiKey: LTVKNTJTQMMWME-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-(3,4-dimethylphenyl)-3-phenyl-propanamide
N-(3,4-dimethylphenyl)-3-phenyl-propionamide
BAS 00478930
N-(3,4-Dimethyl-phenyl)-3-phenyl-propionamide
ZINC00311104
AG-690/36925017
ST5231407

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Echinococcus multilocularis	tubulin alpha 1C chain	0.0057	0.6629	0.5663
Brugia malayi	alpha-tubulin	0.0057	0.6629	0.6629
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0043	0.4402	0.3415
Trypanosoma brucei	beta tubulin	0.003	0.2227	0.336
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Leishmania major	alpha tubulin	0.0057	0.6629	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Brugia malayi	TAR-binding protein	0.0076	1	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.003	0.2227	0.336
Echinococcus granulosus	tubulin alpha 3 chain	0.0057	0.6629	0.5663
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	tubulin alpha chain	0.0057	0.6629	0.6035
Trypanosoma brucei	beta tubulin	0.003	0.2227	0.336
Giardia lamblia	Alpha-tubulin	0.0057	0.6629	1
Trypanosoma brucei	alpha tubulin	0.0057	0.6629	1
Echinococcus granulosus	tubulin alpha chain	0.0057	0.6629	0.5663
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0039	0.3726	0.262
Trichomonas vaginalis	tubulin beta chain, putative	0.003	0.2227	0.336
Toxoplasma gondii	alpha-tubulin I, putative	0.0057	0.6629	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.003	0.2227	0.336
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.6629	0.5663
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Trypanosoma brucei	epsilon tubulin	0.003	0.2227	0.336
Trypanosoma brucei	alpha tubulin	0.0057	0.6629	1
Loa Loa (eye worm)	tubulin alpha 2	0.0043	0.4402	0.3415
Echinococcus multilocularis	tubulin alpha 1C chain	0.0057	0.6629	0.5663
Echinococcus granulosus	tubulin alpha 1C chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	hypothetical protein	0.0043	0.4402	0.3415
Loa Loa (eye worm)	beta-tubulin	0.003	0.2227	0.0857
Trichomonas vaginalis	tubulin gamma chain, putative	0.003	0.2227	0.336
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.6629	0.5663
Trypanosoma brucei	epsilon tubulin	0.003	0.2227	0.336
Echinococcus granulosus	alpha tubulin	0.0057	0.6629	0.5663
Trypanosoma brucei	alpha tubulin	0.0057	0.6629	1
Echinococcus multilocularis	tubulin subunit TubB	0.0057	0.6629	0.5663
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.6629	0.5663
Trichomonas vaginalis	tubulin alpha chain, putative	0.003	0.2227	0.336
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Plasmodium falciparum	alpha tubulin 2	0.0057	0.6629	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0057	0.6629	1
Brugia malayi	Tubulin beta-1 chain	0.003	0.2227	0.2227
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	alpha-tubulin	0.0057	0.6629	0.6035
Echinococcus granulosus	tubulin alpha chain	0.0057	0.6629	0.5663
Brugia malayi	Tubulin gamma chain	0.003	0.2227	0.2227
Leishmania major	alpha tubulin	0.0057	0.6629	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0057	0.6629	0.5663
Loa Loa (eye worm)	BEN-1 protein	0.003	0.2227	0.0857
Trypanosoma brucei	alpha tubulin	0.0057	0.6629	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0057	0.6629	0.5663
Echinococcus granulosus	tubulin subunit TubB	0.0057	0.6629	0.5663
Loa Loa (eye worm)	alpha-tubulin	0.0057	0.6629	0.6035
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.6629	0.5663
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Loa Loa (eye worm)	hypothetical protein	0.0039	0.3726	0.262
Echinococcus multilocularis	tubulin alpha chain	0.0057	0.6629	0.5663
Giardia lamblia	Alpha-tubulin	0.0057	0.6629	1
Brugia malayi	beta-tubulin, identical	0.003	0.2227	0.2227
Loa Loa (eye worm)	BEN-1 protein	0.003	0.2227	0.0857
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0057	0.6629	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Trypanosoma brucei	epsilon tubulin	0.003	0.2227	0.336
Leishmania major	alpha tubulin	0.0057	0.6629	1
Plasmodium falciparum	alpha tubulin 1	0.0057	0.6629	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0057	0.6629	0.5663
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0057	0.6629	1
Leishmania major	alpha tubulin	0.0057	0.6629	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	1	1
Onchocerca volvulus		0.0017	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Brugia malayi	tubulin alpha-2 chain	0.0057	0.6629	0.6629
Leishmania major	alpha tubulin	0.0057	0.6629	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.003	0.2227	0.0857
Plasmodium vivax	tubulin alpha chain, putative	0.0057	0.6629	1
Trypanosoma brucei	beta tubulin	0.003	0.2227	0.336
Brugia malayi	Tubulin alpha-2 chain	0.0057	0.6629	0.6629
Schistosoma mansoni	alpha tubulin	0.0057	0.6629	0.5663
Brugia malayi	tubulin alpha chain - mouse	0.0057	0.6629	0.6629
Echinococcus multilocularis	hypothetical protein	0.0057	0.6629	0.5663
Brugia malayi	Tubulin alpha-2 chain	0.0057	0.6629	0.6629
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.003	0.2227	0.0857
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.003	0.2227	0.336
Trichomonas vaginalis	tubulin beta chain, putative	0.0057	0.6629	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.003	0.2227	0.336
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0057	0.6629	0.6035
Schistosoma mansoni	alpha tubulin	0.0057	0.6629	0.5663
Entamoeba histolytica	tubulin alpha chain, putative	0.0057	0.6629	1
Loa Loa (eye worm)	tubulin gamma chain	0.003	0.2227	0.0857
Schistosoma mansoni	alpha tubulin	0.0057	0.6629	0.5663
Trypanosoma cruzi	alpha tubulin, putative	0.0057	0.6629	1
Plasmodium vivax	tubulin alpha chain, putative	0.0057	0.6629	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0057	0.6629	0.5663
Echinococcus multilocularis	tar DNA binding protein	0.0076	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0057	0.6629	1
Trypanosoma brucei	tubulin gamma chain	0.003	0.2227	0.336
Entamoeba histolytica	tubulin alpha-1 chain	0.0057	0.6629	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.003	0.2227	0.0857
Leishmania major	alpha tubulin	0.0057	0.6629	1
Loa Loa (eye worm)	RNA binding protein	0.0076	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0043	0.4402	0.664
Trichomonas vaginalis	tubulin, putative	0.003	0.2227	0.336
Loa Loa (eye worm)	hypothetical protein	0.0057	0.6629	0.6035
Trichomonas vaginalis	tubulin gamma chain, putative	0.003	0.2227	0.336
Schistosoma mansoni	tar DNA-binding protein	0.0076	1	1
Brugia malayi	Tubulin alpha chain	0.0057	0.6629	0.6629
Loa Loa (eye worm)	tubulin beta chain	0.003	0.2227	0.0857
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.6629	0.5663
Echinococcus granulosus	tubulin alpha 3 chain	0.0057	0.6629	0.5663
Echinococcus granulosus	tubulin alpha chain	0.0057	0.6629	0.5663
Trypanosoma brucei	beta tubulin	0.003	0.2227	0.336
Leishmania major	alpha tubulin	0.0057	0.6629	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0043	0.4402	0.3415
Echinococcus granulosus	tubulin alpha chain	0.0057	0.6629	0.5663
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.3726	0.5621
Loa Loa (eye worm)	tubulin alpha chain	0.0057	0.6629	0.6035
Echinococcus granulosus	tubulin alpha chain	0.0057	0.6629	0.5663
Echinococcus granulosus	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0057	0.6629	0.5663
Echinococcus granulosus	tar DNA binding protein	0.0076	1	1
Trypanosoma brucei	beta tubulin	0.003	0.2227	0.336

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3548 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2130829

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 1713126