TDR Targets

Basic information

Technical information

TDR Targets ID: 106157
Name: N-(3-anilinophenyl)acetamide
MW: 226.274 | Formula: C14H14N2O
H donors: 2 H acceptors: 1 LogP: 2.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cccc(c1)Nc1ccccc1
InChi: 1S/C14H14N2O/c1-11(17)15-13-8-5-9-14(10-13)16-12-6-3-2-4-7-12/h2-10,16H,1H3,(H,15,17)
InChiKey: XZMWUQGDKDBRCS-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-phenylazanylphenyl)ethanamide
N-[3-(phenylamino)phenyl]acetamide
N-[3-(phenylamino)phenyl]ethanamide

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	Nuclear hormone receptor family member nhr-1	0.0027	0.0052	0.006
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.1879	0.271
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0133	0.5168	0.7586
Echinococcus multilocularis	sterol regulatory element binding protein	0.0055	0.1387	0.1981
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0133	0.5168	1
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.1387	0.1339
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0052	0.006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0052	0.006
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0052	0.006
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0062	0.1757	0.171
Loa Loa (eye worm)	hypothetical protein	0.003	0.0197	0.0228
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0052	0.006
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0133	0.5168	0.5986
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0116	0.4347	0.637
Echinococcus granulosus	chromobox protein 1	0.0068	0.2053	0.2968
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.2053	0.2378
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.8633	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0739	0.0687
Echinococcus granulosus	Niemann Pick C1 protein	0.0055	0.1387	0.1981
Brugia malayi	ecdysteroid receptor	0.0027	0.0052	0.006
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0598	0.0545
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1879	0.3637
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0558	0.0751
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0133	0.5168	1
Echinococcus multilocularis	protein patched	0.0055	0.1387	0.1981
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0133	0.5168	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0052	0.006
Schistosoma mansoni	lipoxygenase	0.0116	0.4347	0.637
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0109	0.0085
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.1397	0.1618
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0052	0.006
Schistosoma mansoni	chromobox protein	0.0068	0.2053	0.2968
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0052	0.006
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1879	0.3637
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0161	0.0162
Onchocerca volvulus		0.003	0.0197	0.0146
Schistosoma mansoni	lipoxygenase	0.0081	0.2661	0.3869
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0133	0.5168	1
Brugia malayi	chromobox protein homolog 3	0.0038	0.0598	0.0693
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0161	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1387	0.1607
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0055	0.1387	0.1981
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0052	0.006
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0052	0.006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0161	0.0162
Brugia malayi	Pre-SET motif family protein	0.0029	0.0161	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0598	0.0545
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0052	0.006
Schistosoma mansoni	hypothetical protein	0.0166	0.6796	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0055	0.1387	0.1607
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0052	0.006
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0739	0.0691
Trichomonas vaginalis	set domain proteins, putative	0.0232	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Schistosoma mansoni	chromobox protein	0.0068	0.2053	0.2968
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0161	0.0162
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0161	0.0162
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.1879	0.3637
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0052	0.006
Echinococcus multilocularis	protein dispatched 1	0.0055	0.1387	0.1981
Brugia malayi	Cytochrome P450 family protein	0.0055	0.1397	0.1618
Onchocerca volvulus		0.004	0.0703	0.0655
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0052	0.006
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.1879	0.2177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0052	0.006
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.1879	0.3637
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0133	0.5168	0.5986
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.2053	0.2008
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0062	0.1757	0.171
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0558	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Brugia malayi	steroid hormone receptor	0.0027	0.0052	0.006
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.1879	0.271
Echinococcus granulosus	Protein patched homolog 1	0.0055	0.1387	0.1981
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Brugia malayi	nuclear hormone receptor	0.0027	0.0052	0.006
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0052	0.006
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0052	0.006
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0052	0.006
Brugia malayi	Pre-SET motif family protein	0.0204	0.8633	1
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0133	0.5168	1
Echinococcus multilocularis	chromobox protein 1	0.0068	0.2053	0.2968
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0161	0.0186
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.1879	0.2177
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.1879	0.271
Echinococcus multilocularis	Niemann Pick C1 protein	0.0055	0.1387	0.1981
Schistosoma mansoni	hypothetical protein	0.0166	0.6796	1
Brugia malayi	Heterochromatin protein 1	0.0068	0.2053	0.2378
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0598	0.0549
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.1879	0.5
Echinococcus granulosus	geminin	0.0166	0.6796	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0133	0.5168	0.7586
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0062	0.1757	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0052	0.006
Brugia malayi	CHE-14 protein	0.0055	0.1387	0.1607
Echinococcus granulosus	sterol regulatory element binding protein	0.0055	0.1387	0.1981
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0116	0.4347	0.637
Plasmodium vivax	SET domain protein, putative	0.0029	0.0161	0.5
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0133	0.5168	0.7586
Schistosoma mansoni	patched 1	0.0055	0.1387	0.1981
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.2053	0.2008
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0052	0.006
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0052	0.006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0161	0.0162
Echinococcus multilocularis	chromobox protein 1	0.0068	0.2053	0.2968
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.004	0.0703	0.0966
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0052	0.006
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0598	0.0693
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0739	0.0687
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0062	0.1757	0.171
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0161	0.0162
Echinococcus multilocularis	geminin	0.0166	0.6796	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.2053	0.2968
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0052	0.006

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 44 %	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]- serotonin at 10 microM	ChEMBL.	8027990
Inhibition (binding)	= 44 %	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]- serotonin at 10 microM	ChEMBL.	8027990

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

PubChem: 11701363

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 106157