TDR Targets

Basic information

Technical information

TDR Targets ID: 323082
Name: 3-(1-benzylindol-3-yl)-N-pyridin-4-ylpropanam ide
MW: 355.432 | Formula: C23H21N3O
H donors: 1 H acceptors: 2 LogP: 3.59 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccncc1)CCc1cn(c2c1cccc2)Cc1ccccc1
InChi: 1S/C23H21N3O/c27-23(25-20-12-14-24-15-13-20)11-10-19-17-26(16-18-6-2-1-3-7-18)22-9-5-4-8-21(19)22/h1-9,12-15,17H,10-11,16H2,(H,24,25,27)
InChiKey: PJYBPLBZSGJPAP-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

3-(1-benzylindol-3-yl)-N-(4-pyridyl)propanamide
3-(1-benzyl-3-indolyl)-N-(4-pyridyl)propanamide
3-[1-(phenylmethyl)indol-3-yl]-N-pyridin-4-yl-propanamide
3-(1-benzylindol-3-yl)-N-(4-pyridyl)propionamide
3-[1-(phenylmethyl)indol-3-yl]-N-pyridin-4-ylpropanamide
3-[1-(phenylmethyl)indol-3-yl]-N-(4-pyridyl)propanamide
3-[1-(phenylmethyl)-3-indolyl]-N-(4-pyridyl)propanamide
3-[1-(benzyl)indol-3-yl]-N-(4-pyridyl)propionamide

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
Entamoeba histolytica	hypothetical protein	0.0471	0.3697	0.6327
Onchocerca volvulus		0.0702	0.5752	0.7013
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0702	0.5752	0.9844
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0122	0.0583	0.0999
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0712	0.5843	1
Schistosoma mansoni	tar DNA-binding protein	0.048	0.3774	0.6459
Loa Loa (eye worm)	hypothetical protein	0.0702	0.5752	0.5752
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0152	0.0853	0.0853
Loa Loa (eye worm)	transcription factor SMAD2	0.1178	1	1
Entamoeba histolytica	hypothetical protein	0.0471	0.3697	0.6327
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0122	0.0583	0.0999
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0122	0.0583	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0122	0.0583	0.0999
Toxoplasma gondii	isocitrate dehydrogenase	0.0122	0.0583	1
Trypanosoma brucei	polo-like protein kinase	0.0712	0.5843	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.1178	1	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.008	0.0214	0.0366
Echinococcus multilocularis	isocitrate dehydrogenase	0.0122	0.0583	0.0999
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0122	0.0583	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0712	0.5843	1
Echinococcus granulosus	smad	0.008	0.0214	0.0366
Brugia malayi	hypothetical protein	0.0471	0.3697	0.3697
Brugia malayi	MH1 domain containing protein	0.008	0.0214	0.0214
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0471	0.3697	0.6327
Schistosoma mansoni	hypothetical protein	0.0152	0.0853	0.146
Brugia malayi	MH1 domain containing protein	0.008	0.0214	0.0214
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0712	0.5843	1
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0122	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0481	0.3781	0.3781
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0337	0.0337
Schistosoma mansoni	hypothetical protein	0.0471	0.3697	0.6327
Schistosoma mansoni	smad1 5 8 and	0.008	0.0214	0.0366
Loa Loa (eye worm)	MH2 domain-containing protein	0.008	0.0214	0.0214
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Loa Loa (eye worm)	TAR-binding protein	0.048	0.3774	0.3774
Echinococcus multilocularis	Smad4	0.008	0.0214	0.0366
Echinococcus granulosus	Smad4	0.008	0.0214	0.0366
Trypanosoma cruzi	polo-like protein kinase, putative	0.0712	0.5843	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.048	0.3774	0.3774
Schistosoma mansoni	hypothetical protein	0.0152	0.0853	0.146
Trichomonas vaginalis	glutaminase, putative	0.0615	0.4978	0.852
Entamoeba histolytica	hypothetical protein	0.0471	0.3697	0.6327
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0152	0.0853	0.146
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0122	0.0583	0.0999
Brugia malayi	hypothetical protein	0.0678	0.5537	0.5537
Schistosoma mansoni	transcription factor LCR-F1	0.0471	0.3697	0.6327
Echinococcus multilocularis	GPCR, family 2	0.0152	0.0853	0.146
Trypanosoma cruzi	polo-like protein kinase, putative	0.0712	0.5843	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.008	0.0214	0.0366
Schistosoma mansoni	hypothetical protein	0.0152	0.0853	0.146
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0152	0.0853	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0337	0.0337
Trypanosoma cruzi	hypothetical protein, conserved	0.0462	0.362	0.6195
Schistosoma mansoni	tar DNA-binding protein	0.048	0.3774	0.6459
Schistosoma mansoni	Smad4	0.008	0.0214	0.0366
Schistosoma mansoni	glutaminase	0.0615	0.4978	0.852
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0122	0.0583	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0352	0.2639	0.4516
Echinococcus multilocularis	mothers against decapentaplegic 5	0.008	0.0214	0.0366
Trichomonas vaginalis	CAMK family protein kinase	0.0352	0.2639	0.4516
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0712	0.5843	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0712	0.5843	0.5843
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0152	0.0853	0.146
Schistosoma mansoni	tar DNA-binding protein	0.048	0.3774	0.6459
Echinococcus granulosus	GPCR family 2	0.0152	0.0853	0.146
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Brugia malayi	Isocitrate dehydrogenase	0.0122	0.0583	0.0583
Echinococcus granulosus	mothers against decapentaplegic 5	0.008	0.0214	0.0366
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0712	0.5843	1
Loa Loa (eye worm)	glutaminase 2	0.0615	0.4978	0.4978
Loa Loa (eye worm)	RNA binding protein	0.048	0.3774	0.3774
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Brugia malayi	isocitrate dehydrogenase	0.0122	0.0583	0.0583
Schistosoma mansoni	smad1 5 8 and	0.008	0.0214	0.0366
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0481	0.3781	0.3781
Loa Loa (eye worm)	hypothetical protein	0.0678	0.5537	0.5537
Loa Loa (eye worm)	hypothetical protein	0.0329	0.2426	0.2426
Echinococcus granulosus	TGF beta signal transducer SmadC	0.008	0.0214	0.0366
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0702	0.5752	0.9844
Trypanosoma brucei	hypothetical protein, conserved	0.0462	0.362	0.6195
Toxoplasma gondii	isocitrate dehydrogenase	0.0122	0.0583	1
Loa Loa (eye worm)	pip kinase 2	0.0702	0.5752	0.5752
Brugia malayi	serine/threonine-protein kinase plk-2	0.0712	0.5843	0.5843
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0152	0.0853	0.146
Schistosoma mansoni	smad1 5 8 and	0.008	0.0214	0.0366
Brugia malayi	hypothetical protein	0.0094	0.0337	0.0337
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0122	0.0583	0.0999
Schistosoma mansoni	eyes absent homolog	0.0094	0.0337	0.0577
Schistosoma mansoni	tar DNA-binding protein	0.048	0.3774	0.6459
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0122	0.0583	0.0999
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0481	0.3781	0.3781
Schistosoma mansoni	smad	0.008	0.0214	0.0366
Schistosoma mansoni	tar DNA-binding protein	0.048	0.3774	0.6459
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0122	0.0583	0.0999
Brugia malayi	Pip kinase protein 2	0.0702	0.5752	0.5752
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0122	0.0583	0.0999
Brugia malayi	MH2 domain containing protein	0.008	0.0214	0.0214
Trypanosoma cruzi	hypothetical protein, conserved	0.0462	0.362	0.6195
Brugia malayi	Latrophilin receptor protein 2	0.0152	0.0853	0.0853
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0152	0.0853	0.146
Brugia malayi	MH2 domain containing protein	0.008	0.0214	0.0214
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0481	0.3781	0.3781
Brugia malayi	RNA binding protein	0.048	0.3774	0.3774
Loa Loa (eye worm)	Smad1	0.008	0.0214	0.0214
Echinococcus multilocularis	tar DNA binding protein	0.048	0.3774	0.6459
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0122	0.0583	0.0999
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0471	0.3697	0.6327
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0122	0.0583	0.0999
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0702	0.5752	0.9844
Echinococcus multilocularis	smad	0.008	0.0214	0.0366
Brugia malayi	TAR-binding protein	0.048	0.3774	0.3774
Giardia lamblia	Kinase, PLK	0.0712	0.5843	1
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Trichomonas vaginalis	CAMK family protein kinase	0.0712	0.5843	1
Schistosoma mansoni	hypothetical protein	0.0152	0.0853	0.146
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0853	0.0853
Schistosoma mansoni	hypothetical protein	0.0329	0.2426	0.4152
Loa Loa (eye worm)	glutaminase	0.0615	0.4978	0.4978
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0702	0.5752	0.9844
Loa Loa (eye worm)	MH1 domain-containing protein	0.008	0.0214	0.0214
Mycobacterium ulcerans	glutaminase	0.0615	0.4978	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0329	0.2426	0.2426
Leishmania major	hypothetical protein, conserved	0.0462	0.362	0.6195
Entamoeba histolytica	hypothetical protein	0.0471	0.3697	0.6327
Brugia malayi	Smad1	0.008	0.0214	0.0214
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0122	0.0583	0.0999
Brugia malayi	glutaminase DH11.1	0.0615	0.4978	0.4978
Schistosoma mansoni	serine/threonine protein kinase	0.0712	0.5843	1
Schistosoma mansoni	kinase	0.0362	0.2723	0.466
Echinococcus granulosus	tar DNA binding protein	0.048	0.3774	0.6459
Brugia malayi	RNA recognition motif domain containing protein	0.048	0.3774	0.3774

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antiproliferative activity against ConA-stimulated mouse splenocytes at 90 uM after 72 hrs by MTT assay	ChEMBL.	17316917
Activity (functional)	0	Antiproliferative activity against ConA-stimulated mouse splenocytes at 30 uM after 72 hrs by MTT assay	ChEMBL.	17316917
Inhibition (functional)	= 84 %	inhibition of acute TPA-induced ear swelling in mice on oral administration of 0.1 nmol/kg	ChEMBL.	15454241
Inhibition (functional)	= 84 %	inhibition of acute TPA-induced ear swelling in mice on oral administration of 0.1 nmol/kg	ChEMBL.	15454241
Inhibition (functional)	= 90 %	Percent inhibition of acute TPA-induced ear swelling in mice upon topical application at 2x 100 ug	ChEMBL.	15454241
Inhibition (functional)	= 90 %	Percent inhibition of acute TPA-induced ear swelling in mice upon topical application at 2x 100 ug	ChEMBL.	15454241

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: CHEMBL185611
PubChem: 16723800

Bibliographic References

2 literature references were 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 323082