TDR Targets

Basic information

Technical information

TDR Targets ID: 207402
Name: 4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1- benzyl-3-methylimidazolidin-2-one
MW: 362.468 | Formula: C22H26N4O
H donors: 2 H acceptors: 1 LogP: 2.47 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: NCCc1c[nH]c2c1cc(cc2)CC1CN(C(=O)N1C)Cc1ccccc1
InChi: 1S/C22H26N4O/c1-25-19(15-26(22(25)27)14-16-5-3-2-4-6-16)11-17-7-8-21-20(12-17)18(9-10-23)13-24-21/h2-8,12-13,19,24H,9-11,14-15,23H2,1H3
InChiKey: AGVADLPAQQHKAL-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-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzyl-3-methyl-imidazolidin-2-one
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzyl-3-methyl-2-imidazolidinone
4-[[3-(2-azanylethyl)-1H-indol-5-yl]methyl]-3-methyl-1-(phenylmethyl)imidazolidin-2-one
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methyl-1-(phenylmethyl)imidazolidin-2-one
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methyl-1-(phenylmethyl)-2-imidazolidinone
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-(benzyl)-3-methyl-imidazolidin-2-one

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	exodeoxyribonuclease III family protein	0.002	0.018	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0285	0.0445
Leishmania major	trypanothione reductase	0.0051	0.2299	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0285	0.0284
Brugia malayi	ecdysteroid receptor	0.0022	0.0285	0.0737
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.2299	0.3591
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0285	0.0284
Brugia malayi	glutathione reductase	0.0051	0.2299	0.5952
Entamoeba histolytica	hypothetical protein	0.0039	0.1458	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0285	0.0737
Plasmodium vivax	glutathione reductase, putative	0.0051	0.2299	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.6401	0.6401
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0285	0.0737
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1458	0.2277
Mycobacterium tuberculosis	Probable dehydrogenase	0.0117	0.6806	0.8837
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0285	0.0737
Brugia malayi	steroid hormone receptor	0.0022	0.0285	0.0737
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0285	0.0285
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.3863	0.3863
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.018	0.0234
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.018	0.0784
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.018	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0285	0.0737
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0285	0.0445
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0285	0.0737
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0285	0.0285
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.013	0.7701	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0285	0.0285
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.018	0.0784
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.3863	0.3863
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0285	0.0445
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0285	0.0285
Plasmodium falciparum	glutathione reductase	0.0051	0.2299	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0285	0.0285
Brugia malayi	Thioredoxin reductase	0.0051	0.2299	0.5952
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0285	0.0445
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0285	0.0284
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.018	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0285	0.0285
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.2299	0.5754
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0285	0.0285
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0285	0.0445
Mycobacterium tuberculosis	Probable oxidoreductase	0.013	0.7701	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.6401	0.6401
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0285	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0285	0.0284
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0285	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.6401	0.6401
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0285	0.0445
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0285	0.0737
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0285	0.0445
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.2299	0.3591
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.2299	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0285	0.0737
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1458	0.1458
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0285	0.0445
Mycobacterium tuberculosis	Probable reductase	0.0117	0.6806	0.8837
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0111	0.6401	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.018	1
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.018	0.0466
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.013	0.7701	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0117	0.6806	0.8837
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.0285	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.018	0.0466
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0285	0.0445
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0285	0.0737
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0285	0.0284
Brugia malayi	hypothetical protein	0.0039	0.1458	0.3774
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.2299	0.2985
Schistosoma mansoni	ap endonuclease	0.002	0.018	0.018
Entamoeba histolytica	hypothetical protein	0.0039	0.1458	1
Trypanosoma brucei	trypanothione reductase	0.0051	0.2299	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0285	0.0737
Plasmodium falciparum	thioredoxin reductase	0.0051	0.2299	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0285	0.0284
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.018	0.0784
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.018	0.0784
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0285	0.0737
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0285	0.0737
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0285	0.0285
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0285	0.0737
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0285	0.0737
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.6401	0.6401
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0285	0.0284
Toxoplasma gondii	thioredoxin reductase	0.0051	0.2299	0.3591
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0285	0.0445
Toxoplasma gondii	exonuclease III APE	0.002	0.018	0.0281
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0074	0.3863	1
Entamoeba histolytica	hypothetical protein	0.0039	0.1458	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.018	1
Brugia malayi	nuclear hormone receptor	0.0022	0.0285	0.0737
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1458	0.2277
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0285	0.0737
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0285	0.0445
Brugia malayi	Melibiase family protein	0.0074	0.3863	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.018	0.0784
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0285	0.0445
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0285	0.0445
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0285	0.0284
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0111	0.6401	1
Loa Loa (eye worm)	glutathione reductase	0.0051	0.2299	0.5754
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0117	0.6806	0.8837
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.018	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0018	0	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.018	0.0281
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0285	0.0285
Onchocerca volvulus		0.0022	0.0285	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Schistosoma mansoni	hypothetical protein	0.0039	0.1458	0.1458
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0117	0.6806	0.8837
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0285	0.0445
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.018	0.0281
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0117	0.6806	0.8837
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0285	0.0737
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0285	0.0285
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.013	0.7701	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0285	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0285	0.0284
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0285	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0285	0.0445
Entamoeba histolytica	hypothetical protein	0.0039	0.1458	1
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0285	0.0737
Schistosoma mansoni	ap endonuclease	0.002	0.018	0.018
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.2299	1
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0111	0.6401	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0285	0.0285
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0285	0.0445
Schistosoma mansoni	coup transcription factor	0.0022	0.0285	0.0285
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0285	0.0285
Toxoplasma gondii	melibiase subfamily protein	0.0111	0.6401	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0285	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0074	0.3863	1

Activities

Activity type	Activity value	Assay description	Source	Reference
p[A50] (binding)	= 5	The compound was tested for binding affinity against 5-HT2A receptor	ChEMBL.	7658443
p[A50] (binding)	= 7.5	The compound was tested for binding affinity against 5-HT1D receptor	ChEMBL.	7658443
p[A50] (binding)	= 5	The compound was tested for binding affinity against 5-HT2A receptor	ChEMBL.	7658443
p[A50] (binding)	= 7.5	The compound was tested for binding affinity against 5-HT1D receptor	ChEMBL.	7658443

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: CHEMBL420867
PubChem: 19752537

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 207402